data_2rse_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 2rse _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 ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.109999999999999 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.870000000000005 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.890000000000001 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.659999999999997 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.550000000000001 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.670000000000002 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.850000000000001 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.670000000000002 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.269999999999996 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.030000000000001 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.659999999999997 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.060000000000002 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 29.309999999999999 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.539999999999999 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.170000000000002 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.719999999999999 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.359999999999999 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.550000000000001 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.259999999999998 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.950000000000003 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.560000000000002 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.739999999999995 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.700000000000003 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.469999999999999 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.090000000000003 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.969999999999999 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.260000000000002 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.309999999999999 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.300000000000001 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.140000000000001 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.189999999999998 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.769999999999996 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.530000000000001 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.180000000000007 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.990000000000002 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.390000000000001 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.406 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.309999999999999 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.289999999999999 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.879999999999999 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.170000000000002 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.209999999999994 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.859999999999999 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.300000000000001 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.640000000000001 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.630000000000003 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.210000000000001 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.890000000000001 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.130000000000001 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.470000000000001 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.969999999999999 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 23.16 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.729999999999997 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.739999999999998 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.859999999999999 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 16.199999999999999 108.446 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.359999999999999 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.870000000000001 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.189999999999998 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.630000000000001 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.720000000000001 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.899999999999999 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.159999999999997 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.029999999999999 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.170000000000002 103.785 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.229999999999997 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.359999999999999 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.699999999999999 109.043 -167.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.629999999999999 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.629999999999999 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.489999999999998 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.260000000000002 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.100000000000001 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.609999999999999 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.460000000000001 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.130000000000001 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.490000000000002 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.350000000000001 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.939999999999998 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.260000000000002 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.769999999999996 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.299999999999997 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.450000000000003 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.729999999999997 108.714 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.479999999999997 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.710000000000001 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.109999999999999 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.700000000000003 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.050000000000001 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.100000000000001 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.170000000000002 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.280000000000001 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.719999999999999 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.559999999999999 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.489999999999998 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.670000000000002 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.869999999999997 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.259999999999998 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.140000000000001 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.840000000000003 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.109999999999999 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.240000000000002 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.920000000000002 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.079999999999998 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.890000000000001 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.120000000000001 116.348 172.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.799999999999997 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.149999999999999 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.850000000000001 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.493 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.609999999999999 111.185 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.989999999999995 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.030000000000001 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.460000000000001 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.729999999999997 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.569999999999993 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.435 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.239999999999995 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.542 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.210000000000001 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.630000000000003 111.837 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.620000000000005 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.060000000000002 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.700000000000003 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.359999999999999 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.390000000000001 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.100000000000001 109.409 -174.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.159999999999997 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.859999999999999 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.090000000000003 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.079999999999998 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.109999999999999 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.309999999999999 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.510000000000005 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.939999999999998 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.059999999999999 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.425 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.840000000000003 109.177 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.340000000000003 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.039999999999999 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.099999999999994 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.280000000000001 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.576 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.280000000000001 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.729999999999997 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.230000000000004 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.960000000000001 113.766 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.576 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.799999999999997 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.069999999999993 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.740000000000002 115.452 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.199999999999999 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1083 ' ' ASN . . . . . 0.401 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.399999999999999 109.693 -176.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.780000000000001 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.609999999999999 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.579999999999998 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.020000000000003 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.100000000000001 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.530000000000001 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.520000000000003 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.539999999999999 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.940000000000001 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.493 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.149999999999999 111.122 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.379999999999999 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.2 t60 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.509999999999998 107.862 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.780000000000001 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.260000000000002 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.406 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.219999999999999 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.150000000000006 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.119999999999997 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.240000000000002 111.683 -172.137 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.109999999999999 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.870000000000005 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.890000000000001 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.659999999999997 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.550000000000001 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.850000000000001 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.670000000000002 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.269999999999996 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.030000000000001 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.659999999999997 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.060000000000002 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 29.309999999999999 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.539999999999999 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.170000000000002 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.719999999999999 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.359999999999999 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.550000000000001 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.259999999999998 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.950000000000003 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.560000000000002 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.739999999999995 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.700000000000003 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.469999999999999 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.090000000000003 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.969999999999999 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.260000000000002 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.309999999999999 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.300000000000001 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.140000000000001 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.189999999999998 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.769999999999996 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.530000000000001 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.180000000000007 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.990000000000002 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.390000000000001 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.309999999999999 106.541 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.289999999999999 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.879999999999999 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.170000000000002 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.209999999999994 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.859999999999999 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.300000000000001 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.640000000000001 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.630000000000003 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.210000000000001 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.300000000000001 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.890000000000001 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.130000000000001 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.470000000000001 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.969999999999999 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 23.16 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.729999999999997 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.739999999999998 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.859999999999999 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 16.199999999999999 108.445 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.359999999999999 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.870000000000001 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.189999999999998 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.630000000000001 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.899999999999999 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.159999999999997 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.029999999999999 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.170000000000002 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.229999999999997 114.891 -170.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.359999999999999 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.699999999999999 109.059 -167.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.629999999999999 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.629999999999999 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.489999999999998 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.260000000000002 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.100000000000001 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.609999999999999 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.460000000000001 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.130000000000001 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.490000000000002 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.350000000000001 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.939999999999998 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.260000000000002 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.769999999999996 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.450000000000003 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.479999999999997 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.710000000000001 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.109999999999999 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.700000000000003 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.050000000000001 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.100000000000001 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.170000000000002 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.280000000000001 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.719999999999999 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.559999999999999 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.489999999999998 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.670000000000002 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.869999999999997 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.259999999999998 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.140000000000001 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.840000000000003 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.109999999999999 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.240000000000002 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.920000000000002 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.079999999999998 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.890000000000001 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.549 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.120000000000001 116.239 172.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.799999999999997 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.149999999999999 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.850000000000001 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.492 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.609999999999999 111.181 -172.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.989999999999995 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.030000000000001 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.460000000000001 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.729999999999997 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.569999999999993 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.41 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.239999999999995 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.539 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.210000000000001 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.630000000000003 111.867 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.620000000000005 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.060000000000002 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.700000000000003 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.359999999999999 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.390000000000001 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.100000000000001 109.36 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.159999999999997 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.859999999999999 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.090000000000003 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.079999999999998 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.109999999999999 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.309999999999999 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.510000000000005 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.939999999999998 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.059999999999999 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.840000000000003 109.204 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.340000000000003 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.039999999999999 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.099999999999994 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.280000000000001 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.578 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.280000000000001 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.729999999999997 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.230000000000004 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.960000000000001 113.724 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.578 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.799999999999997 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.069999999999993 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.740000000000002 115.379 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.199999999999999 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1083 ' ' ASN . . . . . 0.401 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.399999999999999 109.666 -176.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.780000000000001 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.609999999999999 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.579999999999998 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.549 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.020000000000003 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.100000000000001 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.530000000000001 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.520000000000003 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.539999999999999 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.940000000000001 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.492 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.149999999999999 111.134 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.379999999999999 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.719 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.509999999999998 107.969 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.780000000000001 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.260000000000002 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.219999999999999 109.385 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.719 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.150000000000006 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.119999999999997 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.240000000000002 111.668 -172.255 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.109999999999999 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.870000000000005 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.890000000000001 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.659999999999997 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.550000000000001 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.670000000000002 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.850000000000001 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.670000000000002 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.269999999999996 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.030000000000001 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.659999999999997 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.060000000000002 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 29.309999999999999 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.539999999999999 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.170000000000002 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.719999999999999 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.359999999999999 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.550000000000001 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.259999999999998 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.950000000000003 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.560000000000002 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.739999999999995 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.700000000000003 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.469999999999999 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.090000000000003 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.969999999999999 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.260000000000002 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.309999999999999 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.300000000000001 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.140000000000001 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.189999999999998 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.769999999999996 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.530000000000001 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.180000000000007 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.990000000000002 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.390000000000001 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.309999999999999 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.289999999999999 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.879999999999999 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.170000000000002 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.209999999999994 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.859999999999999 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.300000000000001 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.640000000000001 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.630000000000003 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.210000000000001 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.300000000000001 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.890000000000001 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.130000000000001 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.470000000000001 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.969999999999999 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 23.16 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.729999999999997 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.739999999999998 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.859999999999999 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 16.199999999999999 108.515 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.359999999999999 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.870000000000001 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.189999999999998 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.630000000000001 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.720000000000001 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.899999999999999 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.159999999999997 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.029999999999999 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.170000000000002 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.229999999999997 114.839 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.359999999999999 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.699999999999999 109.046 -167.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.629999999999999 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.629999999999999 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.489999999999998 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.260000000000002 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.100000000000001 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.609999999999999 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.460000000000001 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.130000000000001 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.490000000000002 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.350000000000001 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.939999999999998 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.260000000000002 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.769999999999996 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.299999999999997 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.450000000000003 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.76 -172.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.479999999999997 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.710000000000001 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.109999999999999 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.700000000000003 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.050000000000001 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.100000000000001 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.170000000000002 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.280000000000001 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.719999999999999 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.559999999999999 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.489999999999998 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.670000000000002 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.869999999999997 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.259999999999998 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.140000000000001 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.840000000000003 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.109999999999999 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.240000000000002 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.920000000000002 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.079999999999998 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.890000000000001 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.120000000000001 116.256 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.799999999999997 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.149999999999999 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.850000000000001 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.609999999999999 111.179 -172.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.989999999999995 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.030000000000001 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.460000000000001 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.729999999999997 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.569999999999993 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.432 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.239999999999995 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.54 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.210000000000001 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.630000000000003 111.823 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.620000000000005 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.060000000000002 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.700000000000003 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.359999999999999 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.390000000000001 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.100000000000001 109.401 -174.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.159999999999997 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.859999999999999 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.090000000000003 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.079999999999998 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.109999999999999 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.309999999999999 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.510000000000005 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.939999999999998 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.059999999999999 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.43 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.840000000000003 109.221 175.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.340000000000003 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.039999999999999 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.099999999999994 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.280000000000001 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.280000000000001 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.729999999999997 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.230000000000004 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.960000000000001 113.901 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.799999999999997 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.069999999999993 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.740000000000002 115.401 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.199999999999999 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.399999999999999 109.666 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.780000000000001 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.555 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.609999999999999 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.579999999999998 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.555 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.020000000000003 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.100000000000001 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.530000000000001 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.520000000000003 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.539999999999999 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.940000000000001 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.149999999999999 111.144 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.379999999999999 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.2 t60 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.509999999999998 107.948 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.780000000000001 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.260000000000002 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.219999999999999 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.150000000000006 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.119999999999997 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.240000000000002 111.66 -172.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.109999999999999 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.870000000000005 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.890000000000001 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.659999999999997 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.550000000000001 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.670000000000002 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.850000000000001 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.670000000000002 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.269999999999996 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.030000000000001 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.659999999999997 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.060000000000002 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 29.309999999999999 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.539999999999999 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.170000000000002 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.719999999999999 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.359999999999999 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.550000000000001 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.259999999999998 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.950000000000003 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.560000000000002 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.700000000000003 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.469999999999999 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.090000000000003 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.969999999999999 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.260000000000002 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.309999999999999 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.300000000000001 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.140000000000001 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.189999999999998 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.769999999999996 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.530000000000001 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.180000000000007 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.990000000000002 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.390000000000001 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.408 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.309999999999999 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.289999999999999 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.879999999999999 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.170000000000002 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.209999999999994 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.859999999999999 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.300000000000001 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.640000000000001 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.630000000000003 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.210000000000001 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.300000000000001 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.890000000000001 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.130000000000001 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.470000000000001 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.969999999999999 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 23.16 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.729999999999997 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.739999999999998 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.859999999999999 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 16.199999999999999 108.427 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.359999999999999 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.870000000000001 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.189999999999998 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.630000000000001 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.720000000000001 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.899999999999999 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.159999999999997 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.029999999999999 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.170000000000002 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.229999999999997 114.883 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.359999999999999 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.699999999999999 109.07 -167.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.629999999999999 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.629999999999999 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.489999999999998 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.260000000000002 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.100000000000001 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.609999999999999 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.460000000000001 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.130000000000001 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.490000000000002 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.350000000000001 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.939999999999998 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.260000000000002 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.769999999999996 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.299999999999997 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.450000000000003 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.729999999999997 108.648 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.479999999999997 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.710000000000001 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.109999999999999 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.700000000000003 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.050000000000001 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.100000000000001 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.170000000000002 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.280000000000001 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.719999999999999 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.559999999999999 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.489999999999998 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.670000000000002 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.869999999999997 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.259999999999998 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.140000000000001 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.840000000000003 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.109999999999999 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.240000000000002 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.920000000000002 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.079999999999998 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.890000000000001 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.120000000000001 116.297 172.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.799999999999997 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.149999999999999 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.850000000000001 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.494 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.609999999999999 111.162 -172.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.989999999999995 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.030000000000001 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.460000000000001 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.729999999999997 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.569999999999993 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.436 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.239999999999995 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.543 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.210000000000001 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.630000000000003 111.833 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.620000000000005 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.060000000000002 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.700000000000003 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.359999999999999 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.390000000000001 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.100000000000001 109.346 -174.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.159999999999997 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.859999999999999 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.090000000000003 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.079999999999998 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.109999999999999 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.309999999999999 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.510000000000005 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.939999999999998 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.059999999999999 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.840000000000003 109.209 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.340000000000003 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.039999999999999 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.099999999999994 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.280000000000001 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.575 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.280000000000001 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.729999999999997 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.230000000000004 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.960000000000001 113.892 176.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.799999999999997 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.069999999999993 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.740000000000002 115.385 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.199999999999999 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1083 ' ' ASN . . . . . 0.4 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.399999999999999 109.73 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.780000000000001 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.609999999999999 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.579999999999998 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.020000000000003 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.100000000000001 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.530000000000001 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.520000000000003 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.539999999999999 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.940000000000001 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.494 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.149999999999999 111.092 177.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.379999999999999 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.5 t60 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.509999999999998 107.973 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.780000000000001 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.260000000000002 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.408 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.219999999999999 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.150000000000006 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.119999999999997 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.240000000000002 111.73 -172.266 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.109999999999999 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.870000000000005 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.890000000000001 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.659999999999997 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.550000000000001 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.670000000000002 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.850000000000001 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.670000000000002 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.269999999999996 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.030000000000001 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.659999999999997 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.060000000000002 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 29.309999999999999 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.539999999999999 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.170000000000002 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.719999999999999 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.359999999999999 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.550000000000001 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.259999999999998 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.950000000000003 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.560000000000002 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.739999999999995 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.700000000000003 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.469999999999999 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.090000000000003 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.969999999999999 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.260000000000002 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.309999999999999 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.300000000000001 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.140000000000001 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.189999999999998 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.769999999999996 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.530000000000001 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.180000000000007 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.990000000000002 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.390000000000001 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.403 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.309999999999999 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.289999999999999 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.879999999999999 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.170000000000002 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.209999999999994 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.859999999999999 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.300000000000001 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.640000000000001 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.630000000000003 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.210000000000001 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.300000000000001 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.890000000000001 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.130000000000001 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.470000000000001 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.969999999999999 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 23.16 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.729999999999997 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.739999999999998 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.859999999999999 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 16.199999999999999 108.411 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.359999999999999 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.870000000000001 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.189999999999998 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.630000000000001 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.720000000000001 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.899999999999999 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.159999999999997 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.029999999999999 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.1 t60 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.170000000000002 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.229999999999997 114.865 -170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.359999999999999 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.699999999999999 109.051 -167.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.629999999999999 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.629999999999999 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.489999999999998 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.260000000000002 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.100000000000001 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.609999999999999 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.460000000000001 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.130000000000001 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.490000000000002 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.350000000000001 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.939999999999998 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.260000000000002 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.769999999999996 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.299999999999997 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.450000000000003 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.729999999999997 108.729 -172.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.479999999999997 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.710000000000001 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.109999999999999 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.700000000000003 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.100000000000001 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.170000000000002 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.280000000000001 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.719999999999999 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.559999999999999 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.489999999999998 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.670000000000002 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.869999999999997 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.259999999999998 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.140000000000001 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.840000000000003 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.109999999999999 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.240000000000002 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.920000000000002 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.079999999999998 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.890000000000001 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.120000000000001 116.258 172.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.799999999999997 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.149999999999999 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.850000000000001 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.494 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.609999999999999 111.204 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.989999999999995 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.030000000000001 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.460000000000001 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.729999999999997 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.569999999999993 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.239999999999995 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.542 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.210000000000001 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.630000000000003 111.771 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.620000000000005 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.060000000000002 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.700000000000003 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.359999999999999 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.390000000000001 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.100000000000001 109.356 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.159999999999997 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.859999999999999 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.090000000000003 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.079999999999998 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.109999999999999 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.309999999999999 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.510000000000005 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.939999999999998 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.059999999999999 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.840000000000003 109.288 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.340000000000003 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.039999999999999 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.099999999999994 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.280000000000001 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.280000000000001 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.729999999999997 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.230000000000004 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.960000000000001 113.896 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.799999999999997 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.069999999999993 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.740000000000002 115.416 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.199999999999999 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.399999999999999 109.732 -176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.780000000000001 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.609999999999999 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.579999999999998 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.020000000000003 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.100000000000001 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.530000000000001 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.520000000000003 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.539999999999999 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.940000000000001 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.494 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.149999999999999 111.155 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.379999999999999 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.9 t60 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.509999999999998 107.925 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.780000000000001 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.260000000000002 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.403 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.219999999999999 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.150000000000006 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.119999999999997 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.240000000000002 111.712 -172.272 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.109999999999999 109.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.870000000000005 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.890000000000001 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.659999999999997 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.550000000000001 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.670000000000002 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.850000000000001 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.670000000000002 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.269999999999996 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.030000000000001 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.659999999999997 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.060000000000002 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 29.309999999999999 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.539999999999999 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.170000000000002 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.719999999999999 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.359999999999999 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.550000000000001 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.259999999999998 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.950000000000003 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.560000000000002 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.739999999999995 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.700000000000003 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.469999999999999 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.090000000000003 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.969999999999999 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.260000000000002 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.309999999999999 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.300000000000001 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.140000000000001 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.189999999999998 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.769999999999996 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.530000000000001 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.180000000000007 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.990000000000002 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.390000000000001 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.309999999999999 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.289999999999999 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.879999999999999 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.170000000000002 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.209999999999994 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.859999999999999 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.300000000000001 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.640000000000001 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.630000000000003 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.210000000000001 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.890000000000001 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.130000000000001 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.470000000000001 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.969999999999999 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 23.16 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.729999999999997 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.739999999999998 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.859999999999999 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 16.199999999999999 108.393 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.359999999999999 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.870000000000001 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.189999999999998 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.630000000000001 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.720000000000001 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.899999999999999 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.159999999999997 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.029999999999999 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.170000000000002 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.229999999999997 114.882 -170.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.699999999999999 109.049 -167.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.629999999999999 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.629999999999999 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.489999999999998 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.260000000000002 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.100000000000001 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.609999999999999 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.460000000000001 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.130000000000001 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.350000000000001 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.939999999999998 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.260000000000002 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.769999999999996 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.299999999999997 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.450000000000003 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.729999999999997 108.832 -172.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.479999999999997 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.710000000000001 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.109999999999999 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.700000000000003 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.050000000000001 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.100000000000001 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.170000000000002 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.280000000000001 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.719999999999999 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.559999999999999 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.489999999999998 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.670000000000002 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.869999999999997 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.259999999999998 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.140000000000001 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.840000000000003 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.109999999999999 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.240000000000002 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.920000000000002 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.079999999999998 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.890000000000001 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.120000000000001 116.212 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.799999999999997 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.149999999999999 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.850000000000001 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.609999999999999 111.161 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.989999999999995 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.030000000000001 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.460000000000001 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.729999999999997 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.569999999999993 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.239999999999995 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.210000000000001 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.630000000000003 111.882 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.620000000000005 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.060000000000002 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.700000000000003 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.359999999999999 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.390000000000001 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.100000000000001 109.429 -174.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.159999999999997 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.859999999999999 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.090000000000003 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.079999999999998 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.109999999999999 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.309999999999999 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.510000000000005 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.939999999999998 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.059999999999999 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.840000000000003 109.225 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.340000000000003 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.039999999999999 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.099999999999994 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.280000000000001 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.280000000000001 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.729999999999997 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.230000000000004 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.960000000000001 113.765 176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.799999999999997 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.069999999999993 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.740000000000002 115.46 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.199999999999999 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.399999999999999 109.576 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.780000000000001 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.555 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.609999999999999 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.579999999999998 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.555 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.020000000000003 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.100000000000001 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.530000000000001 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.520000000000003 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.539999999999999 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.940000000000001 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.149999999999999 111.127 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.379999999999999 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.6 t60 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.509999999999998 107.903 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.780000000000001 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.260000000000002 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.219999999999999 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.150000000000006 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.119999999999997 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.240000000000002 111.676 -172.203 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.109999999999999 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.870000000000005 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.890000000000001 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.659999999999997 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.550000000000001 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.670000000000002 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.850000000000001 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.670000000000002 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.269999999999996 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.030000000000001 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.659999999999997 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.060000000000002 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 29.309999999999999 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.539999999999999 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.170000000000002 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.719999999999999 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.359999999999999 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.550000000000001 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.259999999999998 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.950000000000003 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.560000000000002 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.739999999999995 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.700000000000003 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.469999999999999 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.969999999999999 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.260000000000002 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.309999999999999 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.300000000000001 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.140000000000001 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.189999999999998 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.769999999999996 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.530000000000001 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.180000000000007 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.990000000000002 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.390000000000001 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.309999999999999 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.289999999999999 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.879999999999999 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.170000000000002 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.209999999999994 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.859999999999999 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.300000000000001 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.640000000000001 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.630000000000003 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.210000000000001 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.890000000000001 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.130000000000001 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.470000000000001 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.969999999999999 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 23.16 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.729999999999997 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.739999999999998 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.859999999999999 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 16.199999999999999 108.414 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.359999999999999 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.870000000000001 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.189999999999998 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.630000000000001 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.720000000000001 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.899999999999999 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.159999999999997 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.029999999999999 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 85.9 t60 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.170000000000002 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.229999999999997 114.869 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.359999999999999 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.699999999999999 109.049 -167.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.629999999999999 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.629999999999999 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.489999999999998 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.260000000000002 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.100000000000001 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.609999999999999 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.460000000000001 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.130000000000001 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.490000000000002 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.350000000000001 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.939999999999998 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.260000000000002 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.769999999999996 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.450000000000003 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.729999999999997 108.828 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.479999999999997 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.710000000000001 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.109999999999999 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.700000000000003 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.100000000000001 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.170000000000002 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.280000000000001 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.719999999999999 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.559999999999999 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.489999999999998 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.670000000000002 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.869999999999997 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.259999999999998 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.140000000000001 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.840000000000003 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.109999999999999 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.240000000000002 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.920000000000002 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.890000000000001 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.120000000000001 116.318 172.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.799999999999997 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.149999999999999 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.850000000000001 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.609999999999999 111.146 -172.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.989999999999995 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.030000000000001 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.460000000000001 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.729999999999997 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.569999999999993 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.433 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.239999999999995 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.210000000000001 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.630000000000003 111.89 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.620000000000005 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.060000000000002 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.700000000000003 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.359999999999999 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.390000000000001 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.100000000000001 109.374 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.159999999999997 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.859999999999999 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.090000000000003 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.079999999999998 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.109999999999999 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.309999999999999 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.510000000000005 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.939999999999998 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.059999999999999 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.840000000000003 109.24 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.340000000000003 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.039999999999999 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.099999999999994 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.280000000000001 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.280000000000001 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.729999999999997 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.230000000000004 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.960000000000001 113.851 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.799999999999997 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.069999999999993 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.740000000000002 115.4 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.199999999999999 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.399999999999999 109.626 -176.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.780000000000001 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.609999999999999 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.579999999999998 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.554 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.020000000000003 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.100000000000001 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.530000000000001 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.520000000000003 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.539999999999999 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.940000000000001 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.149999999999999 111.133 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.379999999999999 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 56.5 t60 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.509999999999998 107.898 179.172 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.780000000000001 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.260000000000002 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.219999999999999 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.150000000000006 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.119999999999997 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.240000000000002 111.717 -172.285 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.109999999999999 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.870000000000005 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.890000000000001 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.659999999999997 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.550000000000001 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.670000000000002 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.850000000000001 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.670000000000002 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.269999999999996 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.030000000000001 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.659999999999997 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.060000000000002 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 29.309999999999999 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.539999999999999 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.170000000000002 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.719999999999999 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.359999999999999 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.550000000000001 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.259999999999998 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.950000000000003 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.560000000000002 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.739999999999995 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.700000000000003 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.469999999999999 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.090000000000003 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.969999999999999 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.260000000000002 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.309999999999999 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.300000000000001 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.140000000000001 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.189999999999998 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.769999999999996 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.530000000000001 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.180000000000007 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.990000000000002 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.390000000000001 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.402 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.309999999999999 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.289999999999999 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.879999999999999 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.170000000000002 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.209999999999994 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.859999999999999 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.300000000000001 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.640000000000001 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.630000000000003 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.210000000000001 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.300000000000001 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.890000000000001 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.130000000000001 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.470000000000001 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.969999999999999 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 23.16 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.729999999999997 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.739999999999998 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.859999999999999 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 16.199999999999999 108.398 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.359999999999999 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.870000000000001 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.189999999999998 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.630000000000001 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.720000000000001 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.899999999999999 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.159999999999997 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.029999999999999 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.170000000000002 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.229999999999997 114.87 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.359999999999999 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.699999999999999 109.071 -167.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.629999999999999 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.629999999999999 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.489999999999998 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.260000000000002 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.100000000000001 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.609999999999999 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.460000000000001 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.130000000000001 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.490000000000002 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.350000000000001 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.939999999999998 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.260000000000002 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.769999999999996 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.299999999999997 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.450000000000003 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.729999999999997 108.736 -172.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.479999999999997 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.710000000000001 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.109999999999999 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.700000000000003 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.050000000000001 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.100000000000001 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.170000000000002 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.280000000000001 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.719999999999999 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.559999999999999 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.489999999999998 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.670000000000002 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.869999999999997 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.259999999999998 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.140000000000001 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.840000000000003 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.109999999999999 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.240000000000002 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.920000000000002 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.890000000000001 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.55 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.120000000000001 116.371 172.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.799999999999997 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.149999999999999 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.850000000000001 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.609999999999999 111.214 -172.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.989999999999995 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.030000000000001 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.460000000000001 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.729999999999997 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.569999999999993 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.435 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.239999999999995 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.210000000000001 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.630000000000003 111.808 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.620000000000005 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.060000000000002 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.700000000000003 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.359999999999999 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.390000000000001 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.100000000000001 109.359 -174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.159999999999997 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.859999999999999 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.090000000000003 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.079999999999998 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.109999999999999 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.309999999999999 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.510000000000005 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.939999999999998 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.059999999999999 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.840000000000003 109.214 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.340000000000003 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.039999999999999 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.099999999999994 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.280000000000001 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.280000000000001 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.729999999999997 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.230000000000004 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.960000000000001 113.793 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.799999999999997 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.069999999999993 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.740000000000002 115.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.199999999999999 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.399999999999999 109.646 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.780000000000001 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.609999999999999 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.579999999999998 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.55 HD11 ' HE2' ' B' 1037 ' ' MET . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.020000000000003 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.100000000000001 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.530000000000001 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.520000000000003 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.539999999999999 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.940000000000001 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.149999999999999 111.053 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.379999999999999 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.4 t60 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.509999999999998 107.904 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.780000000000001 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.260000000000002 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.402 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.219999999999999 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.150000000000006 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.119999999999997 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.240000000000002 111.69 -172.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.109999999999999 109.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.870000000000005 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.890000000000001 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.659999999999997 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.550000000000001 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.850000000000001 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.670000000000002 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.269999999999996 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.030000000000001 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.659999999999997 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.060000000000002 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 29.309999999999999 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.539999999999999 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.170000000000002 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.719999999999999 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.359999999999999 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.550000000000001 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.259999999999998 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.950000000000003 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.560000000000002 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.739999999999995 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.700000000000003 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.469999999999999 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.090000000000003 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.969999999999999 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.260000000000002 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.309999999999999 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.300000000000001 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.140000000000001 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.189999999999998 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.769999999999996 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.530000000000001 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.180000000000007 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.990000000000002 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.390000000000001 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.401 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.309999999999999 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.289999999999999 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.879999999999999 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.170000000000002 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.209999999999994 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.859999999999999 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.300000000000001 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.640000000000001 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.630000000000003 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.210000000000001 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.300000000000001 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.890000000000001 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.130000000000001 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.470000000000001 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.969999999999999 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 23.16 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.729999999999997 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.739999999999998 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.859999999999999 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 16.199999999999999 108.389 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.359999999999999 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.870000000000001 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.189999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.630000000000001 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.720000000000001 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.899999999999999 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.159999999999997 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.029999999999999 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.170000000000002 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.229999999999997 114.888 -170.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.359999999999999 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.699999999999999 109.064 -167.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.629999999999999 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.629999999999999 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.489999999999998 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.260000000000002 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.100000000000001 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.609999999999999 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.460000000000001 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.130000000000001 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.490000000000002 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.350000000000001 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.939999999999998 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.260000000000002 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.769999999999996 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.299999999999997 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.450000000000003 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.729999999999997 108.715 -172.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.479999999999997 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.710000000000001 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.109999999999999 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.700000000000003 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.050000000000001 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.100000000000001 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.170000000000002 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.280000000000001 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.719999999999999 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.559999999999999 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.489999999999998 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.670000000000002 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.869999999999997 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.259999999999998 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.140000000000001 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.840000000000003 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.109999999999999 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.240000000000002 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.920000000000002 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.079999999999998 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.890000000000001 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.55 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.120000000000001 116.201 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.799999999999997 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.149999999999999 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.850000000000001 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.609999999999999 111.193 -172.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.989999999999995 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.030000000000001 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.460000000000001 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.729999999999997 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.569999999999993 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.239999999999995 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.210000000000001 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.630000000000003 111.882 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.620000000000005 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.060000000000002 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.700000000000003 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.359999999999999 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.390000000000001 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.100000000000001 109.357 -174.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.159999999999997 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.859999999999999 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.090000000000003 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.079999999999998 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.109999999999999 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.309999999999999 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.510000000000005 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.939999999999998 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.059999999999999 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.840000000000003 109.265 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.340000000000003 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.039999999999999 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.099999999999994 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.280000000000001 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.280000000000001 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.729999999999997 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.960000000000001 113.846 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.799999999999997 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.069999999999993 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.740000000000002 115.417 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.199999999999999 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.399999999999999 109.636 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.780000000000001 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.609999999999999 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.579999999999998 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.55 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.020000000000003 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.100000000000001 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.530000000000001 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.520000000000003 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.539999999999999 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.940000000000001 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.149999999999999 111.194 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.379999999999999 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.4 t60 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.509999999999998 107.906 179.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.780000000000001 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.260000000000002 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.401 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.219999999999999 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.150000000000006 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.119999999999997 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.240000000000002 111.707 -172.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.109999999999999 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.870000000000005 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.890000000000001 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.659999999999997 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.550000000000001 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.670000000000002 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.850000000000001 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.670000000000002 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.269999999999996 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.030000000000001 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.659999999999997 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.060000000000002 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 29.309999999999999 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.539999999999999 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.719999999999999 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.359999999999999 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.550000000000001 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.259999999999998 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.950000000000003 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.560000000000002 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.739999999999995 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.700000000000003 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.469999999999999 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.969999999999999 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.260000000000002 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.309999999999999 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.300000000000001 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.140000000000001 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.189999999999998 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.769999999999996 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.530000000000001 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.180000000000007 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.990000000000002 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.309999999999999 106.465 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.289999999999999 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.879999999999999 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.170000000000002 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.209999999999994 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.859999999999999 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.300000000000001 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.640000000000001 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.630000000000003 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.210000000000001 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.300000000000001 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.890000000000001 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.130000000000001 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.470000000000001 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.969999999999999 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 23.16 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.729999999999997 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.739999999999998 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.859999999999999 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 16.199999999999999 108.452 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.359999999999999 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.870000000000001 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.189999999999998 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.630000000000001 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.720000000000001 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.899999999999999 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.159999999999997 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.029999999999999 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.1 t60 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.170000000000002 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.229999999999997 114.852 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.359999999999999 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.699999999999999 109.054 -167.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.629999999999999 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.629999999999999 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.489999999999998 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.260000000000002 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.100000000000001 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.609999999999999 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.460000000000001 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.130000000000001 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.490000000000002 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.350000000000001 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.939999999999998 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.260000000000002 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.769999999999996 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.299999999999997 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.450000000000003 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.729999999999997 108.734 -172.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.479999999999997 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.710000000000001 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.109999999999999 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.700000000000003 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.050000000000001 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.100000000000001 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.170000000000002 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.280000000000001 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.719999999999999 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.559999999999999 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.489999999999998 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.670000000000002 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.869999999999997 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.259999999999998 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.140000000000001 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.840000000000003 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.109999999999999 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.240000000000002 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.920000000000002 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.079999999999998 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.890000000000001 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.120000000000001 116.263 172.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.799999999999997 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.149999999999999 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.850000000000001 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.609999999999999 111.185 -172.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.989999999999995 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.030000000000001 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.460000000000001 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.729999999999997 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.569999999999993 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.433 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.239999999999995 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.210000000000001 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.630000000000003 111.851 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.620000000000005 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.060000000000002 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.700000000000003 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.359999999999999 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.390000000000001 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.100000000000001 109.386 -174.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.159999999999997 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.859999999999999 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.090000000000003 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.079999999999998 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.109999999999999 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.309999999999999 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.510000000000005 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.939999999999998 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.059999999999999 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.840000000000003 109.189 175.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.340000000000003 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.039999999999999 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.099999999999994 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.280000000000001 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.280000000000001 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.729999999999997 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.230000000000004 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.960000000000001 113.794 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.799999999999997 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.069999999999993 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.740000000000002 115.367 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.199999999999999 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.399999999999999 109.6 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.780000000000001 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.609999999999999 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.579999999999998 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.020000000000003 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.100000000000001 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.530000000000001 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.520000000000003 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.539999999999999 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.940000000000001 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.149999999999999 111.19 177.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.379999999999999 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.4 t60 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.509999999999998 107.901 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.780000000000001 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.260000000000002 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.219999999999999 109.319 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.150000000000006 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.119999999999997 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.240000000000002 111.688 -172.238 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.109999999999999 109.235 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.870000000000005 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.890000000000001 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.659999999999997 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.550000000000001 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.670000000000002 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.850000000000001 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.670000000000002 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.269999999999996 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.030000000000001 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.659999999999997 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.060000000000002 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 29.309999999999999 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.539999999999999 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.719999999999999 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.359999999999999 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.550000000000001 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.259999999999998 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.950000000000003 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.560000000000002 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.739999999999995 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.700000000000003 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.469999999999999 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.090000000000003 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.969999999999999 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.260000000000002 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.309999999999999 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.300000000000001 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.140000000000001 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.189999999999998 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.769999999999996 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.530000000000001 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.180000000000007 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.990000000000002 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.309999999999999 106.527 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.289999999999999 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.879999999999999 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.170000000000002 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.209999999999994 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.859999999999999 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.300000000000001 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.640000000000001 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.630000000000003 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.210000000000001 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.300000000000001 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.890000000000001 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.130000000000001 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.470000000000001 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.969999999999999 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 23.16 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.729999999999997 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.739999999999998 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.859999999999999 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 16.199999999999999 108.461 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.359999999999999 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.870000000000001 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.189999999999998 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.630000000000001 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.899999999999999 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.159999999999997 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.029999999999999 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.170000000000002 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.229999999999997 114.891 -170.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.359999999999999 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.699999999999999 109.036 -167.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.629999999999999 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.629999999999999 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.489999999999998 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.260000000000002 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.100000000000001 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.609999999999999 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.460000000000001 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.130000000000001 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.350000000000001 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.939999999999998 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.260000000000002 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.769999999999996 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.450000000000003 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.729999999999997 108.75 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.479999999999997 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.710000000000001 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.109999999999999 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.700000000000003 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.050000000000001 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.100000000000001 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.170000000000002 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.280000000000001 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.719999999999999 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.559999999999999 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.489999999999998 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.670000000000002 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.869999999999997 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.259999999999998 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.140000000000001 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.840000000000003 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.109999999999999 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.240000000000002 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.920000000000002 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.079999999999998 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.890000000000001 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.120000000000001 116.279 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.799999999999997 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.149999999999999 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.850000000000001 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.498 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.609999999999999 111.154 -172.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.989999999999995 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.030000000000001 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.460000000000001 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.729999999999997 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.569999999999993 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.43 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.239999999999995 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.210000000000001 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.630000000000003 111.815 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.620000000000005 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.060000000000002 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.700000000000003 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.359999999999999 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.390000000000001 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.100000000000001 109.507 -174.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.159999999999997 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.859999999999999 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.090000000000003 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.079999999999998 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.109999999999999 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.309999999999999 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.510000000000005 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.939999999999998 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.059999999999999 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.840000000000003 109.291 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.340000000000003 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.039999999999999 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.099999999999994 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.280000000000001 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.280000000000001 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.729999999999997 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.960000000000001 113.795 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.799999999999997 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.069999999999993 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.740000000000002 115.442 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.199999999999999 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.399999999999999 109.653 -176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.780000000000001 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.609999999999999 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.579999999999998 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.020000000000003 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.100000000000001 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.530000000000001 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.520000000000003 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.539999999999999 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.940000000000001 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.498 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.149999999999999 111.22 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.379999999999999 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.509999999999998 107.943 179.159 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.780000000000001 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.260000000000002 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.219999999999999 109.323 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.150000000000006 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.119999999999997 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.240000000000002 111.691 -172.196 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.109999999999999 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.870000000000005 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.890000000000001 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.659999999999997 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.550000000000001 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.670000000000002 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.850000000000001 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.670000000000002 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.269999999999996 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.030000000000001 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.659999999999997 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.060000000000002 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 29.309999999999999 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.539999999999999 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.719999999999999 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.359999999999999 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.550000000000001 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.259999999999998 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.950000000000003 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.560000000000002 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.739999999999995 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.700000000000003 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.469999999999999 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.090000000000003 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.969999999999999 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.260000000000002 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.309999999999999 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.300000000000001 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.140000000000001 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.189999999999998 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.769999999999996 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.530000000000001 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.180000000000007 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.990000000000002 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.309999999999999 106.516 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.289999999999999 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.879999999999999 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.170000000000002 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.209999999999994 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.859999999999999 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.300000000000001 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.640000000000001 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.630000000000003 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.210000000000001 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.300000000000001 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.890000000000001 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.130000000000001 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.470000000000001 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.969999999999999 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 23.16 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.729999999999997 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.739999999999998 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.859999999999999 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 16.199999999999999 108.466 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.359999999999999 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.870000000000001 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.189999999999998 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.630000000000001 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.720000000000001 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.899999999999999 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.159999999999997 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.029999999999999 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 85.9 t60 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.170000000000002 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.229999999999997 114.852 -170.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.359999999999999 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.699999999999999 109.006 -167.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.629999999999999 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.629999999999999 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.489999999999998 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.260000000000002 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.100000000000001 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.609999999999999 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.460000000000001 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.130000000000001 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.490000000000002 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.350000000000001 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.939999999999998 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.260000000000002 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.769999999999996 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.299999999999997 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.450000000000003 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.729999999999997 108.746 -172.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.479999999999997 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.710000000000001 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.109999999999999 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.700000000000003 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.050000000000001 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.100000000000001 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.170000000000002 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.280000000000001 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.719999999999999 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.559999999999999 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.489999999999998 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.670000000000002 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.869999999999997 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.259999999999998 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.140000000000001 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.840000000000003 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.109999999999999 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.240000000000002 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.920000000000002 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.079999999999998 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.890000000000001 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.120000000000001 116.2 172.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.799999999999997 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.149999999999999 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.850000000000001 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.609999999999999 111.144 -172.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.989999999999995 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.030000000000001 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.460000000000001 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.729999999999997 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.569999999999993 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.239999999999995 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.210000000000001 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.630000000000003 111.857 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.620000000000005 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.060000000000002 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.700000000000003 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.359999999999999 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.390000000000001 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.100000000000001 109.465 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.159999999999997 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.859999999999999 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.090000000000003 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.079999999999998 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.109999999999999 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.309999999999999 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.510000000000005 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.939999999999998 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.059999999999999 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.840000000000003 109.112 175.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.340000000000003 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.039999999999999 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.099999999999994 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.280000000000001 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.280000000000001 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.729999999999997 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.230000000000004 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.960000000000001 113.832 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.799999999999997 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.069999999999993 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.740000000000002 115.396 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.199999999999999 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.399999999999999 109.682 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.780000000000001 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.609999999999999 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.579999999999998 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.020000000000003 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.100000000000001 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.530000000000001 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.520000000000003 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.539999999999999 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.940000000000001 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.149999999999999 111.175 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.379999999999999 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.509999999999998 107.9 179.176 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.780000000000001 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.260000000000002 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.219999999999999 109.384 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.150000000000006 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.119999999999997 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.240000000000002 111.741 -172.289 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.109999999999999 109.302 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.870000000000005 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.890000000000001 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.659999999999997 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.550000000000001 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.850000000000001 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.670000000000002 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.269999999999996 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.030000000000001 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.659999999999997 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.060000000000002 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 29.309999999999999 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.539999999999999 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.170000000000002 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.719999999999999 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.359999999999999 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.550000000000001 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.259999999999998 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.950000000000003 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.560000000000002 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.739999999999995 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.700000000000003 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.469999999999999 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.090000000000003 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.969999999999999 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.260000000000002 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.309999999999999 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.300000000000001 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.140000000000001 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.189999999999998 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.769999999999996 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.180000000000007 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.990000000000002 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.390000000000001 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.309999999999999 106.489 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.289999999999999 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.879999999999999 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.170000000000002 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.209999999999994 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.859999999999999 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.300000000000001 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.640000000000001 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.630000000000003 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.210000000000001 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.300000000000001 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.890000000000001 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.130000000000001 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.470000000000001 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.969999999999999 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 23.16 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.729999999999997 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.739999999999998 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.859999999999999 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 16.199999999999999 108.468 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.359999999999999 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.870000000000001 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.189999999999998 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.630000000000001 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.720000000000001 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.899999999999999 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.159999999999997 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.029999999999999 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.170000000000002 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.229999999999997 114.9 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.699999999999999 109.093 -167.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.629999999999999 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.629999999999999 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.489999999999998 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.260000000000002 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.100000000000001 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.609999999999999 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.460000000000001 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.130000000000001 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.490000000000002 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.350000000000001 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.939999999999998 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.260000000000002 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.769999999999996 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.299999999999997 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.450000000000003 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.708 -172.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.479999999999997 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.710000000000001 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.109999999999999 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.700000000000003 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.050000000000001 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.100000000000001 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.170000000000002 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.280000000000001 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.719999999999999 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.559999999999999 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.489999999999998 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.670000000000002 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.869999999999997 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.259999999999998 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.140000000000001 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.840000000000003 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.109999999999999 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.240000000000002 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.920000000000002 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.890000000000001 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.120000000000001 116.257 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.799999999999997 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.149999999999999 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.850000000000001 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.609999999999999 111.172 -172.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.989999999999995 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.030000000000001 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.460000000000001 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.729999999999997 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.569999999999993 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.239999999999995 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.210000000000001 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.466 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.630000000000003 111.835 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.620000000000005 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.060000000000002 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.700000000000003 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.359999999999999 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.390000000000001 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.466 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.100000000000001 109.397 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.159999999999997 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.859999999999999 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.090000000000003 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.079999999999998 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.109999999999999 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.309999999999999 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.510000000000005 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.939999999999998 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.059999999999999 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.840000000000003 109.16 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.340000000000003 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.039999999999999 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.099999999999994 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.280000000000001 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.280000000000001 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.729999999999997 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.230000000000004 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.960000000000001 113.749 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.571 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.799999999999997 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.069999999999993 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.740000000000002 115.455 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.199999999999999 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.399999999999999 109.65 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.780000000000001 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.609999999999999 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.579999999999998 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.020000000000003 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.100000000000001 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.530000000000001 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.520000000000003 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.539999999999999 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.940000000000001 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.149999999999999 111.143 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.379999999999999 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.9 t60 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.509999999999998 107.897 179.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.780000000000001 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.260000000000002 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.219999999999999 109.394 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.150000000000006 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.119999999999997 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.240000000000002 111.71 -172.276 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.109999999999999 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.870000000000005 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.890000000000001 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.659999999999997 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.550000000000001 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.670000000000002 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.850000000000001 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.670000000000002 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.269999999999996 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.030000000000001 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.659999999999997 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.060000000000002 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 29.309999999999999 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.539999999999999 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.170000000000002 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.719999999999999 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.359999999999999 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.550000000000001 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.259999999999998 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.950000000000003 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.560000000000002 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.739999999999995 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.700000000000003 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.469999999999999 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.090000000000003 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.969999999999999 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.260000000000002 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.309999999999999 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.300000000000001 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.140000000000001 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.189999999999998 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.769999999999996 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.530000000000001 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.180000000000007 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.990000000000002 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.390000000000001 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.408 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.309999999999999 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.289999999999999 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.879999999999999 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.170000000000002 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.209999999999994 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.859999999999999 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.300000000000001 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.640000000000001 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.630000000000003 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.210000000000001 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.300000000000001 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.890000000000001 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.130000000000001 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.470000000000001 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.969999999999999 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 23.16 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.729999999999997 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.739999999999998 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.859999999999999 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 16.199999999999999 108.464 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.359999999999999 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.870000000000001 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.189999999999998 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.630000000000001 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.899999999999999 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.159999999999997 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.029999999999999 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.170000000000002 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.229999999999997 114.876 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.359999999999999 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.699999999999999 109.056 -167.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.629999999999999 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.629999999999999 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.489999999999998 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.260000000000002 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.100000000000001 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.609999999999999 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.460000000000001 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.130000000000001 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.350000000000001 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.939999999999998 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.260000000000002 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.769999999999996 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.299999999999997 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.450000000000003 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.729999999999997 108.799 -172.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.479999999999997 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.710000000000001 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.109999999999999 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.700000000000003 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.050000000000001 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.100000000000001 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.170000000000002 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.280000000000001 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.719999999999999 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.559999999999999 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.489999999999998 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.670000000000002 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.869999999999997 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.259999999999998 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.140000000000001 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.840000000000003 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.109999999999999 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.240000000000002 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.920000000000002 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.079999999999998 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.890000000000001 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.120000000000001 116.332 172.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.799999999999997 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.149999999999999 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.850000000000001 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.609999999999999 111.173 -172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.989999999999995 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.030000000000001 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.460000000000001 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.729999999999997 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.569999999999993 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.239999999999995 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.210000000000001 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.630000000000003 111.904 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.620000000000005 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.060000000000002 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.700000000000003 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.359999999999999 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.390000000000001 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.100000000000001 109.398 -174.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.159999999999997 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.859999999999999 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.090000000000003 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.079999999999998 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.109999999999999 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.309999999999999 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.510000000000005 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.939999999999998 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.059999999999999 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.840000000000003 109.198 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.340000000000003 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.039999999999999 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.099999999999994 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.280000000000001 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.280000000000001 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.729999999999997 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.230000000000004 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.960000000000001 113.887 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.799999999999997 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.069999999999993 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.740000000000002 115.415 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.199999999999999 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.399999999999999 109.643 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.780000000000001 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.609999999999999 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.579999999999998 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.020000000000003 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.100000000000001 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.530000000000001 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.520000000000003 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.539999999999999 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.940000000000001 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.149999999999999 111.102 177.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.379999999999999 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.254 56.4 t60 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.509999999999998 107.881 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.780000000000001 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.260000000000002 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.408 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.219999999999999 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.150000000000006 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.119999999999997 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.240000000000002 111.746 -172.255 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.109999999999999 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.870000000000005 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.890000000000001 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.659999999999997 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.550000000000001 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.670000000000002 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.850000000000001 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.670000000000002 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.269999999999996 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.030000000000001 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.659999999999997 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.060000000000002 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 29.309999999999999 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.539999999999999 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.170000000000002 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.719999999999999 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.359999999999999 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.550000000000001 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.259999999999998 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.950000000000003 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.560000000000002 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.700000000000003 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.469999999999999 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.969999999999999 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.260000000000002 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.309999999999999 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.300000000000001 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.140000000000001 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.189999999999998 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.769999999999996 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.530000000000001 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.180000000000007 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.990000000000002 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.390000000000001 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.401 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.309999999999999 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.289999999999999 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.879999999999999 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.170000000000002 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.209999999999994 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.859999999999999 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.300000000000001 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.640000000000001 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.630000000000003 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.210000000000001 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.300000000000001 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.890000000000001 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.130000000000001 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.470000000000001 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.969999999999999 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 23.16 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.729999999999997 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.739999999999998 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.859999999999999 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 16.199999999999999 108.468 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.359999999999999 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.870000000000001 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.189999999999998 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.630000000000001 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.720000000000001 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.899999999999999 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.159999999999997 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.029999999999999 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.170000000000002 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.229999999999997 114.898 -170.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.359999999999999 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.699999999999999 109.075 -167.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.629999999999999 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.629999999999999 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.489999999999998 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.260000000000002 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.100000000000001 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.609999999999999 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.460000000000001 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.130000000000001 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.350000000000001 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.939999999999998 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.260000000000002 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.769999999999996 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.299999999999997 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.450000000000003 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.729999999999997 108.762 -172.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.479999999999997 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.710000000000001 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.109999999999999 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.700000000000003 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.050000000000001 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.100000000000001 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.170000000000002 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.280000000000001 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.719999999999999 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.559999999999999 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.489999999999998 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.670000000000002 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.869999999999997 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.259999999999998 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.140000000000001 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.840000000000003 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.109999999999999 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.240000000000002 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.920000000000002 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.079999999999998 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.890000000000001 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.548 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.120000000000001 116.338 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.799999999999997 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.149999999999999 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.850000000000001 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.609999999999999 111.273 -172.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.989999999999995 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.030000000000001 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.460000000000001 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.729999999999997 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.569999999999993 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.436 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.239999999999995 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.210000000000001 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.630000000000003 111.82 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.620000000000005 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.060000000000002 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.700000000000003 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.359999999999999 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.390000000000001 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.100000000000001 109.424 -174.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.159999999999997 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.859999999999999 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.090000000000003 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.079999999999998 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.109999999999999 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.309999999999999 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.510000000000005 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.939999999999998 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.059999999999999 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.840000000000003 109.249 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.340000000000003 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.039999999999999 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.099999999999994 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.280000000000001 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.280000000000001 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.729999999999997 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.960000000000001 113.824 176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.799999999999997 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.069999999999993 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.740000000000002 115.436 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.199999999999999 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1083 ' ' ASN . . . . . 0.4 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.399999999999999 109.693 -176.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.780000000000001 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.609999999999999 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.579999999999998 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.548 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.020000000000003 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.100000000000001 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.530000000000001 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.520000000000003 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.539999999999999 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.940000000000001 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.149999999999999 111.197 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.379999999999999 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.719 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.3 t60 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.509999999999998 107.909 179.228 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.780000000000001 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.260000000000002 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.401 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.219999999999999 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.719 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.150000000000006 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.119999999999997 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.240000000000002 111.641 -172.197 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.109999999999999 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.870000000000005 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.890000000000001 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.659999999999997 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.550000000000001 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.670000000000002 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.850000000000001 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.670000000000002 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.269999999999996 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.030000000000001 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.659999999999997 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.060000000000002 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 29.309999999999999 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.539999999999999 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.170000000000002 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.719999999999999 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.359999999999999 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.550000000000001 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.259999999999998 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.950000000000003 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.560000000000002 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.739999999999995 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.700000000000003 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.469999999999999 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.090000000000003 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.969999999999999 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.260000000000002 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.309999999999999 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.300000000000001 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.140000000000001 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.189999999999998 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.769999999999996 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.530000000000001 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.180000000000007 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.990000000000002 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.390000000000001 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.309999999999999 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.289999999999999 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.879999999999999 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.170000000000002 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.209999999999994 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.859999999999999 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.300000000000001 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.640000000000001 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.630000000000003 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.210000000000001 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.300000000000001 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.890000000000001 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.130000000000001 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.470000000000001 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.969999999999999 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 23.16 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.729999999999997 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.739999999999998 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.859999999999999 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 16.199999999999999 108.418 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.359999999999999 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.870000000000001 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.189999999999998 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.630000000000001 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.720000000000001 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.899999999999999 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.159999999999997 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.029999999999999 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.170000000000002 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.229999999999997 114.873 -170.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.699999999999999 109.031 -167.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.629999999999999 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.629999999999999 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.489999999999998 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.260000000000002 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.100000000000001 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.609999999999999 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.460000000000001 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.533 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.130000000000001 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.490000000000002 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.350000000000001 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.939999999999998 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.260000000000002 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.769999999999996 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.299999999999997 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.450000000000003 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.729999999999997 108.697 -172.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.479999999999997 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.710000000000001 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.109999999999999 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.700000000000003 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.100000000000001 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.170000000000002 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.280000000000001 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.719999999999999 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.559999999999999 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.489999999999998 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.670000000000002 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.869999999999997 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.259999999999998 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.140000000000001 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.840000000000003 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.109999999999999 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.240000000000002 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.920000000000002 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.079999999999998 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.890000000000001 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.120000000000001 116.339 172.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.799999999999997 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.149999999999999 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.850000000000001 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.609999999999999 111.194 -172.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.989999999999995 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.030000000000001 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.460000000000001 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.729999999999997 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.569999999999993 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.239999999999995 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.546 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.210000000000001 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.466 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.630000000000003 111.811 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.620000000000005 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.060000000000002 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.700000000000003 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.359999999999999 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.390000000000001 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.466 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.100000000000001 109.375 -174.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.159999999999997 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.859999999999999 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.090000000000003 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.079999999999998 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.109999999999999 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.309999999999999 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.510000000000005 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.939999999999998 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.059999999999999 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.441 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.840000000000003 109.256 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.340000000000003 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.039999999999999 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.099999999999994 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.280000000000001 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.280000000000001 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.729999999999997 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.230000000000004 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.960000000000001 113.892 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.799999999999997 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.069999999999993 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.740000000000002 115.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.199999999999999 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.399999999999999 109.764 -176.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.780000000000001 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.609999999999999 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.579999999999998 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.020000000000003 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.100000000000001 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.530000000000001 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.520000000000003 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.539999999999999 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.940000000000001 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.149999999999999 111.194 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.379999999999999 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.1 t60 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.509999999999998 107.871 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.780000000000001 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.260000000000002 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.219999999999999 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.150000000000006 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1101 ' ' ILE . . . . . 0.402 HD11 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.119999999999997 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.240000000000002 111.716 -172.242 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.109999999999999 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.870000000000005 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.890000000000001 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.659999999999997 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.550000000000001 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.670000000000002 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.850000000000001 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.670000000000002 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.269999999999996 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.030000000000001 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.659999999999997 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.060000000000002 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 29.309999999999999 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.539999999999999 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.170000000000002 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.719999999999999 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.359999999999999 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.550000000000001 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.259999999999998 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.950000000000003 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.560000000000002 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.739999999999995 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.700000000000003 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.469999999999999 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.090000000000003 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.969999999999999 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.260000000000002 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.309999999999999 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.300000000000001 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.140000000000001 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.189999999999998 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.769999999999996 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.530000000000001 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.180000000000007 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.990000000000002 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.390000000000001 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.309999999999999 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.289999999999999 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.879999999999999 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.170000000000002 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.209999999999994 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.859999999999999 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.300000000000001 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.640000000000001 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.630000000000003 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.210000000000001 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.300000000000001 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.890000000000001 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.130000000000001 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.470000000000001 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.969999999999999 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 23.16 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.729999999999997 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.739999999999998 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.859999999999999 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 16.199999999999999 108.444 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.359999999999999 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.870000000000001 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.189999999999998 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.630000000000001 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.720000000000001 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.899999999999999 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.159999999999997 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.029999999999999 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.170000000000002 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.229999999999997 114.905 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.359999999999999 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.699999999999999 109.055 -167.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.629999999999999 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.629999999999999 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.489999999999998 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.260000000000002 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.100000000000001 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.609999999999999 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.460000000000001 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.130000000000001 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.350000000000001 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.939999999999998 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.260000000000002 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.769999999999996 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.299999999999997 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.450000000000003 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.729999999999997 108.734 -172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.479999999999997 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.710000000000001 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.109999999999999 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.700000000000003 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.050000000000001 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.100000000000001 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.170000000000002 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.280000000000001 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.719999999999999 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.559999999999999 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.489999999999998 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.670000000000002 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.869999999999997 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.259999999999998 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.140000000000001 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.840000000000003 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.109999999999999 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.240000000000002 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.920000000000002 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.079999999999998 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.890000000000001 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.120000000000001 116.246 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.799999999999997 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.149999999999999 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.850000000000001 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.609999999999999 111.124 -172.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.989999999999995 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.030000000000001 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.460000000000001 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.729999999999997 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.569999999999993 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.239999999999995 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.547 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.210000000000001 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.630000000000003 111.874 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.620000000000005 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.060000000000002 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.700000000000003 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.359999999999999 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.390000000000001 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.100000000000001 109.442 -174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.159999999999997 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.859999999999999 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.090000000000003 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.079999999999998 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.109999999999999 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.309999999999999 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.510000000000005 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.939999999999998 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.059999999999999 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.840000000000003 109.216 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.340000000000003 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.039999999999999 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.099999999999994 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.280000000000001 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.280000000000001 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.729999999999997 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.230000000000004 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.960000000000001 113.898 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.799999999999997 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.069999999999993 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.740000000000002 115.396 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.199999999999999 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.399999999999999 109.652 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.780000000000001 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.609999999999999 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.579999999999998 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.020000000000003 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.100000000000001 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.530000000000001 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.520000000000003 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.539999999999999 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.940000000000001 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.149999999999999 111.225 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.379999999999999 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.4 t60 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.509999999999998 107.874 179.226 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.780000000000001 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.260000000000002 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.219999999999999 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.150000000000006 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1101 ' ' ILE . . . . . 0.403 HD11 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.119999999999997 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.240000000000002 111.714 -172.266 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.109999999999999 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.870000000000005 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.890000000000001 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.659999999999997 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.550000000000001 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.670000000000002 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.850000000000001 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.670000000000002 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.269999999999996 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.030000000000001 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.528 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.659999999999997 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.060000000000002 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 29.309999999999999 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.539999999999999 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.170000000000002 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.719999999999999 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.359999999999999 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.550000000000001 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.259999999999998 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.950000000000003 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.560000000000002 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.739999999999995 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.700000000000003 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.469999999999999 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.090000000000003 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.969999999999999 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.260000000000002 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.309999999999999 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.300000000000001 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.140000000000001 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.189999999999998 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.769999999999996 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.180000000000007 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.990000000000002 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.390000000000001 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.309999999999999 106.523 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.289999999999999 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.879999999999999 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.170000000000002 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.209999999999994 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.859999999999999 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.300000000000001 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.640000000000001 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.630000000000003 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.210000000000001 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.300000000000001 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.890000000000001 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.130000000000001 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.470000000000001 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.969999999999999 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 23.16 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.729999999999997 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.739999999999998 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.859999999999999 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 16.199999999999999 108.421 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.359999999999999 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.870000000000001 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.189999999999998 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.630000000000001 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.720000000000001 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.899999999999999 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.159999999999997 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.029999999999999 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.170000000000002 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.229999999999997 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.359999999999999 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.699999999999999 109.02 -167.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.629999999999999 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.629999999999999 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.489999999999998 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.260000000000002 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.100000000000001 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.609999999999999 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.460000000000001 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.130000000000001 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.350000000000001 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.939999999999998 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.260000000000002 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.769999999999996 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.299999999999997 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.450000000000003 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.729999999999997 108.768 -172.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.479999999999997 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.710000000000001 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.109999999999999 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.700000000000003 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.050000000000001 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.100000000000001 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.170000000000002 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.280000000000001 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.719999999999999 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.559999999999999 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.489999999999998 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.670000000000002 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.869999999999997 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.259999999999998 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.140000000000001 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.840000000000003 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.109999999999999 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.240000000000002 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.920000000000002 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.079999999999998 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.890000000000001 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.555 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.120000000000001 116.306 172.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.799999999999997 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.149999999999999 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.850000000000001 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.609999999999999 111.281 -172.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.989999999999995 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.030000000000001 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.460000000000001 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.729999999999997 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.569999999999993 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.239999999999995 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.210000000000001 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.630000000000003 111.891 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.620000000000005 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.060000000000002 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.700000000000003 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.359999999999999 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.390000000000001 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.100000000000001 109.263 -174.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.159999999999997 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.859999999999999 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.090000000000003 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.079999999999998 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.109999999999999 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.309999999999999 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.510000000000005 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.939999999999998 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.059999999999999 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.840000000000003 109.184 175.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.340000000000003 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.039999999999999 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.099999999999994 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.280000000000001 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.280000000000001 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.729999999999997 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.230000000000004 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.443 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.960000000000001 113.812 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.799999999999997 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.069999999999993 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.443 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.740000000000002 115.453 -178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.199999999999999 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.399999999999999 109.647 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.780000000000001 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.609999999999999 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.579999999999998 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.555 HD11 ' HE2' ' B' 1037 ' ' MET . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.554 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.020000000000003 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.100000000000001 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.530000000000001 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.520000000000003 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.539999999999999 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.940000000000001 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.149999999999999 111.125 177.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.379999999999999 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.718 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.509999999999998 107.915 179.15 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.780000000000001 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.260000000000002 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.219999999999999 109.409 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.718 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.150000000000006 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1101 ' ' ILE . . . . . 0.402 HD11 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.119999999999997 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.240000000000002 111.68 -172.194 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.109999999999999 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.870000000000005 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.890000000000001 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.659999999999997 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.550000000000001 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.670000000000002 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.850000000000001 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.670000000000002 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.269999999999996 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.030000000000001 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.53 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.659999999999997 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.060000000000002 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 29.309999999999999 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.539999999999999 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.170000000000002 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.719999999999999 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.359999999999999 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.550000000000001 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.259999999999998 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.950000000000003 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.560000000000002 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.700000000000003 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.469999999999999 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.090000000000003 108.349 160.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.969999999999999 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.260000000000002 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 939' ' ' SER . . . . . . . . . . . . . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.309999999999999 106.594 174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.300000000000001 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.140000000000001 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.189999999999998 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.769999999999996 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.180000000000007 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.990000000000002 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.390000000000001 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.309999999999999 106.513 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.289999999999999 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.879999999999999 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.170000000000002 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.209999999999994 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.859999999999999 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.300000000000001 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.640000000000001 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.630000000000003 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.210000000000001 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.300000000000001 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.890000000000001 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.130000000000001 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.470000000000001 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.969999999999999 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 23.16 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.729999999999997 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.739999999999998 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.859999999999999 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 16.199999999999999 108.404 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.359999999999999 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.870000000000001 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.189999999999998 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.630000000000001 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.720000000000001 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.899999999999999 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.159999999999997 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.029999999999999 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.170000000000002 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.229999999999997 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.359999999999999 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.699999999999999 109.089 -167.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.629999999999999 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.629999999999999 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.489999999999998 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.260000000000002 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.100000000000001 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.609999999999999 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.460000000000001 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.130000000000001 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.490000000000002 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.350000000000001 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.939999999999998 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.260000000000002 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.769999999999996 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.299999999999997 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1011 ' ' ILE . . . . . 0.409 HD11 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.450000000000003 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.729999999999997 108.753 -172.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.479999999999997 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.710000000000001 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.109999999999999 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.700000000000003 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.050000000000001 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.100000000000001 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.170000000000002 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.280000000000001 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.719999999999999 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.559999999999999 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.489999999999998 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.670000000000002 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.869999999999997 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.259999999999998 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.140000000000001 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.840000000000003 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.109999999999999 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.240000000000002 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.920000000000002 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.696 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.079999999999998 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.890000000000001 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.557 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.120000000000001 116.287 172.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.799999999999997 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.696 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.149999999999999 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.850000000000001 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.498 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.609999999999999 111.155 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.989999999999995 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.030000000000001 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.460000000000001 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.729999999999997 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.569999999999993 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.416 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.239999999999995 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.546 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.210000000000001 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.462 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.630000000000003 111.801 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.620000000000005 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.060000000000002 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.700000000000003 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.359999999999999 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.390000000000001 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.462 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.100000000000001 109.452 -174.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.159999999999997 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.859999999999999 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.090000000000003 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.079999999999998 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.109999999999999 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.309999999999999 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.510000000000005 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.939999999999998 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.059999999999999 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.840000000000003 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.340000000000003 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.039999999999999 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.099999999999994 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.280000000000001 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.280000000000001 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.729999999999997 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.230000000000004 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.960000000000001 113.889 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.799999999999997 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.069999999999993 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.740000000000002 115.379 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.199999999999999 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.399999999999999 109.684 -176.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.780000000000001 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.609999999999999 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.579999999999998 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.557 HD11 ' HE2' ' B' 1037 ' ' MET . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.557 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.020000000000003 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.100000000000001 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.530000000000001 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.520000000000003 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.539999999999999 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.940000000000001 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.498 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.149999999999999 111.226 177.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.379999999999999 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 57.0 t60 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.509999999999998 107.888 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.780000000000001 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.260000000000002 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.219999999999999 109.365 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.150000000000006 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1101 ' ' ILE . . . . . 0.407 HD11 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.119999999999997 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.240000000000002 111.666 -172.248 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.109999999999999 109.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.870000000000005 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.890000000000001 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.659999999999997 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.550000000000001 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.670000000000002 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.850000000000001 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.670000000000002 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.269999999999996 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.030000000000001 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' PRO . . . . . 0.529 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.659999999999997 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.060000000000002 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 29.309999999999999 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.539999999999999 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.170000000000002 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.719999999999999 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.359999999999999 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 927' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.550000000000001 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.259999999999998 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.950000000000003 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.560000000000002 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.739999999999995 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.700000000000003 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.469999999999999 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.090000000000003 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.969999999999999 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.260000000000002 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 939' ' ' SER . . . . . 0.401 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.309999999999999 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.300000000000001 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.140000000000001 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.189999999999998 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.769999999999996 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.530000000000001 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.180000000000007 108.129 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.990000000000002 107.791 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.390000000000001 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.309999999999999 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.289999999999999 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.879999999999999 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.170000000000002 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.209999999999994 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.859999999999999 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.300000000000001 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.640000000000001 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.630000000000003 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.210000000000001 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.300000000000001 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.890000000000001 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.130000000000001 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.470000000000001 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.969999999999999 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 23.16 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.729999999999997 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.739999999999998 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.859999999999999 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 16.199999999999999 108.445 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.359999999999999 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.870000000000001 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.189999999999998 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.630000000000001 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.720000000000001 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.899999999999999 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.159999999999997 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.029999999999999 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.170000000000002 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.229999999999997 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.359999999999999 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.699999999999999 109.042 -167.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.629999999999999 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.629999999999999 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.489999999999998 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.260000000000002 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.100000000000001 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.609999999999999 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.460000000000001 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1001 ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.130000000000001 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.490000000000002 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.350000000000001 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.939999999999998 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.260000000000002 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.769999999999996 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.299999999999997 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1011 ' ' ILE . . . . . 0.403 HD11 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.450000000000003 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1012 ' ' LEU . . . . . 0.403 ' HA ' HD21 ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.729999999999997 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.479999999999997 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1014 ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.710000000000001 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.109999999999999 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.700000000000003 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.050000000000001 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.100000000000001 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.170000000000002 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.280000000000001 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.719999999999999 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.559999999999999 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.489999999999998 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.670000000000002 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.869999999999997 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.259999999999998 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.140000000000001 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.840000000000003 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.109999999999999 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.240000000000002 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.920000000000002 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.079999999999998 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.890000000000001 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.120000000000001 116.245 172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.799999999999997 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.149999999999999 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.850000000000001 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.609999999999999 111.078 -172.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1042 ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.989999999999995 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1043 ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.030000000000001 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.460000000000001 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.729999999999997 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.569999999999993 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1048 ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' B' 1048 ' ' MET . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.239999999999995 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1050 ' ' ARG . . . . . 0.55 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.210000000000001 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1052 ' ' PRO . . . . . 0.462 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.630000000000003 111.807 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.620000000000005 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.060000000000002 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.700000000000003 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.359999999999999 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.390000000000001 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1058 ' ' THR . . . . . 0.462 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.100000000000001 109.337 -174.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.159999999999997 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1060 ' ' PHE . . . . . 0.452 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.859999999999999 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.090000000000003 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.079999999999998 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.109999999999999 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.309999999999999 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.510000000000005 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.939999999999998 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.059999999999999 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1069 ' ' MET . . . . . 0.458 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.840000000000003 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.340000000000003 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.039999999999999 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.099999999999994 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.280000000000001 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1075 ' ' CYS . . . . . 0.581 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.280000000000001 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.729999999999997 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.230000000000004 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.960000000000001 113.83 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1079 ' ' MET . . . . . 0.581 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.799999999999997 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.069999999999993 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.740000000000002 115.417 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.199999999999999 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.399999999999999 109.709 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.780000000000001 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' B' B 1085 ' ' LYS . . . . . 0.559 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.609999999999999 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.579999999999998 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1088 ' ' THR . . . . . 0.559 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.020000000000003 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.100000000000001 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.530000000000001 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.520000000000003 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.539999999999999 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.940000000000001 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.149999999999999 111.196 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.379999999999999 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1096 ' ' HIS . . . . . 0.704 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.6 t60 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.509999999999998 107.847 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.780000000000001 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.260000000000002 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.219999999999999 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1100 ' ' ARG . . . . . 0.704 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.150000000000006 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1101 ' ' ILE . . . . . 0.423 HD11 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.119999999999997 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.240000000000002 111.659 -172.207 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.109999999999999 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.870000000000005 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.890000000000001 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.659999999999997 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.550000000000001 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.670000000000002 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.850000000000001 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.670000000000002 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.269999999999996 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.030000000000001 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.659999999999997 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.060000000000002 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 29.309999999999999 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.539999999999999 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.170000000000002 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.719999999999999 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.359999999999999 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.550000000000001 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.259999999999998 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.950000000000003 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.560000000000002 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.739999999999995 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.700000000000003 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.469999999999999 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.090000000000003 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.969999999999999 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.260000000000002 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.309999999999999 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.300000000000001 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.140000000000001 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.189999999999998 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.769999999999996 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.530000000000001 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.180000000000007 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.990000000000002 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.390000000000001 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.406 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.309999999999999 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.289999999999999 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.879999999999999 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.170000000000002 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.209999999999994 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.859999999999999 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.300000000000001 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.640000000000001 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.630000000000003 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.210000000000001 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.890000000000001 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.130000000000001 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.470000000000001 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.969999999999999 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 23.16 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.729999999999997 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.739999999999998 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.859999999999999 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 16.199999999999999 108.446 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.359999999999999 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.870000000000001 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.189999999999998 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.630000000000001 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.720000000000001 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.899999999999999 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.159999999999997 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.029999999999999 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.170000000000002 103.785 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.229999999999997 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.359999999999999 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.699999999999999 109.043 -167.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.629999999999999 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.629999999999999 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.489999999999998 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.260000000000002 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.100000000000001 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.609999999999999 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.460000000000001 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.130000000000001 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.490000000000002 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.350000000000001 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.939999999999998 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.260000000000002 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.769999999999996 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.299999999999997 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.450000000000003 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.729999999999997 108.714 -172.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.479999999999997 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.710000000000001 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.109999999999999 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.700000000000003 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.050000000000001 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.100000000000001 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.170000000000002 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.280000000000001 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.719999999999999 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.559999999999999 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.489999999999998 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.670000000000002 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.869999999999997 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.259999999999998 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.140000000000001 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.840000000000003 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.109999999999999 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.240000000000002 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.920000000000002 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.079999999999998 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.890000000000001 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.120000000000001 116.348 172.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.799999999999997 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.149999999999999 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.850000000000001 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.493 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.609999999999999 111.185 -172.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.989999999999995 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.030000000000001 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.460000000000001 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.729999999999997 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.569999999999993 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.435 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.239999999999995 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.542 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.210000000000001 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.630000000000003 111.837 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.620000000000005 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.060000000000002 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.700000000000003 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.359999999999999 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.390000000000001 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.100000000000001 109.409 -174.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.159999999999997 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.859999999999999 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.090000000000003 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.079999999999998 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.109999999999999 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.309999999999999 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.510000000000005 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.939999999999998 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.059999999999999 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.425 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.840000000000003 109.177 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.340000000000003 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.039999999999999 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.099999999999994 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.280000000000001 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.576 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.280000000000001 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.729999999999997 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.230000000000004 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.960000000000001 113.766 176.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.576 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.799999999999997 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.069999999999993 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.740000000000002 115.452 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.199999999999999 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1083 ' ' ASN . . . . . 0.401 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.399999999999999 109.693 -176.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.780000000000001 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.609999999999999 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.579999999999998 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.020000000000003 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.100000000000001 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.530000000000001 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.520000000000003 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.539999999999999 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.940000000000001 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.493 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.149999999999999 111.122 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.379999999999999 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.2 t60 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.509999999999998 107.862 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.780000000000001 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.260000000000002 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.406 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.219999999999999 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.150000000000006 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.119999999999997 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.240000000000002 111.683 -172.137 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.109999999999999 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.870000000000005 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.890000000000001 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.659999999999997 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.550000000000001 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.850000000000001 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.670000000000002 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.269999999999996 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.030000000000001 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.659999999999997 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.060000000000002 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 29.309999999999999 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.539999999999999 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.170000000000002 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.719999999999999 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.359999999999999 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.550000000000001 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.259999999999998 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.950000000000003 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.560000000000002 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.739999999999995 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.700000000000003 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.469999999999999 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.090000000000003 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.969999999999999 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.260000000000002 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.309999999999999 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.300000000000001 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.140000000000001 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.189999999999998 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.769999999999996 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.530000000000001 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.180000000000007 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.990000000000002 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.390000000000001 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.309999999999999 106.541 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.289999999999999 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.879999999999999 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.170000000000002 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.209999999999994 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.859999999999999 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.300000000000001 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.640000000000001 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.630000000000003 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.210000000000001 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.300000000000001 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.890000000000001 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.130000000000001 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.470000000000001 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.969999999999999 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 23.16 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.729999999999997 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.739999999999998 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.859999999999999 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 16.199999999999999 108.445 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.359999999999999 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.870000000000001 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.189999999999998 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.630000000000001 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.899999999999999 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.159999999999997 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.029999999999999 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.170000000000002 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.229999999999997 114.891 -170.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.359999999999999 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.699999999999999 109.059 -167.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.629999999999999 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.629999999999999 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.489999999999998 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.260000000000002 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.100000000000001 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.609999999999999 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.460000000000001 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.130000000000001 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.490000000000002 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.350000000000001 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.939999999999998 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.260000000000002 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.769999999999996 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.450000000000003 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.479999999999997 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.710000000000001 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.109999999999999 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.700000000000003 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.050000000000001 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.100000000000001 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.170000000000002 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.280000000000001 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.719999999999999 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.559999999999999 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.489999999999998 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.670000000000002 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.869999999999997 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.259999999999998 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.140000000000001 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.840000000000003 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.109999999999999 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.240000000000002 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.920000000000002 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.079999999999998 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.890000000000001 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.549 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.120000000000001 116.239 172.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.799999999999997 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.149999999999999 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.850000000000001 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.492 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.609999999999999 111.181 -172.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.989999999999995 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.030000000000001 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.460000000000001 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.729999999999997 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.569999999999993 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.41 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.239999999999995 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.539 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.210000000000001 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.630000000000003 111.867 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.620000000000005 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.060000000000002 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.700000000000003 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.359999999999999 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.390000000000001 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.100000000000001 109.36 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.159999999999997 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.859999999999999 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.090000000000003 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.079999999999998 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.109999999999999 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.309999999999999 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.510000000000005 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.939999999999998 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.059999999999999 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.840000000000003 109.204 175.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.340000000000003 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.039999999999999 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.099999999999994 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.280000000000001 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.578 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.280000000000001 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.729999999999997 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.230000000000004 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.960000000000001 113.724 176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.578 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.799999999999997 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.069999999999993 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.740000000000002 115.379 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.199999999999999 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1083 ' ' ASN . . . . . 0.401 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.399999999999999 109.666 -176.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.780000000000001 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.609999999999999 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.579999999999998 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.549 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.020000000000003 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.100000000000001 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.530000000000001 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.520000000000003 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.539999999999999 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.940000000000001 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.492 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.149999999999999 111.134 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.379999999999999 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.719 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.509999999999998 107.969 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.780000000000001 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.260000000000002 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.219999999999999 109.385 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.719 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.150000000000006 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.119999999999997 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.240000000000002 111.668 -172.255 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.109999999999999 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.870000000000005 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.890000000000001 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.659999999999997 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.550000000000001 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.670000000000002 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.850000000000001 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.670000000000002 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.269999999999996 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.030000000000001 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.659999999999997 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.060000000000002 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 29.309999999999999 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.539999999999999 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.170000000000002 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.719999999999999 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.359999999999999 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.550000000000001 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.259999999999998 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.950000000000003 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.560000000000002 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.739999999999995 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.700000000000003 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.469999999999999 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.090000000000003 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.969999999999999 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.260000000000002 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.404 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.309999999999999 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.300000000000001 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.140000000000001 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.189999999999998 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.769999999999996 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.530000000000001 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.180000000000007 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.990000000000002 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.390000000000001 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.309999999999999 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.289999999999999 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.879999999999999 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.170000000000002 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.209999999999994 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.859999999999999 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.300000000000001 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.640000000000001 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.630000000000003 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.210000000000001 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.300000000000001 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.890000000000001 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.130000000000001 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.470000000000001 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.969999999999999 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 23.16 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.729999999999997 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.739999999999998 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.859999999999999 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 16.199999999999999 108.515 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.359999999999999 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.870000000000001 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.189999999999998 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.630000000000001 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.720000000000001 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.899999999999999 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.159999999999997 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.029999999999999 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.170000000000002 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.229999999999997 114.839 -170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.359999999999999 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.699999999999999 109.046 -167.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.629999999999999 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.629999999999999 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.489999999999998 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.260000000000002 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.100000000000001 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.609999999999999 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.460000000000001 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.130000000000001 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.490000000000002 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.350000000000001 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.939999999999998 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.260000000000002 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.769999999999996 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.299999999999997 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.450000000000003 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.76 -172.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.479999999999997 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.710000000000001 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.109999999999999 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.700000000000003 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.050000000000001 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.100000000000001 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.170000000000002 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.280000000000001 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.719999999999999 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.559999999999999 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.489999999999998 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.670000000000002 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.869999999999997 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.259999999999998 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.140000000000001 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.840000000000003 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.109999999999999 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.240000000000002 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.920000000000002 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.079999999999998 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.890000000000001 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.120000000000001 116.256 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.799999999999997 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.149999999999999 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.850000000000001 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.609999999999999 111.179 -172.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.989999999999995 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.030000000000001 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.460000000000001 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.729999999999997 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.569999999999993 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.432 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.239999999999995 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.54 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.210000000000001 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.630000000000003 111.823 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.620000000000005 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.060000000000002 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.700000000000003 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.359999999999999 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.390000000000001 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.100000000000001 109.401 -174.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.159999999999997 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.859999999999999 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.090000000000003 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.079999999999998 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.109999999999999 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.309999999999999 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.510000000000005 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.939999999999998 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.059999999999999 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.43 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.840000000000003 109.221 175.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.340000000000003 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.039999999999999 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.099999999999994 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.280000000000001 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.280000000000001 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.729999999999997 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.230000000000004 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.960000000000001 113.901 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.799999999999997 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.069999999999993 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.740000000000002 115.401 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.199999999999999 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.399999999999999 109.666 -176.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.780000000000001 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.555 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.609999999999999 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.579999999999998 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.555 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.020000000000003 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.100000000000001 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.530000000000001 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.520000000000003 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.539999999999999 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.940000000000001 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.149999999999999 111.144 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.379999999999999 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.2 t60 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.509999999999998 107.948 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.780000000000001 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.260000000000002 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.219999999999999 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.150000000000006 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.119999999999997 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.240000000000002 111.66 -172.217 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.109999999999999 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.870000000000005 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.890000000000001 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.659999999999997 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.550000000000001 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.670000000000002 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.850000000000001 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.670000000000002 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.269999999999996 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.030000000000001 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.521 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.659999999999997 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.060000000000002 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 29.309999999999999 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.539999999999999 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.170000000000002 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.719999999999999 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.359999999999999 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.550000000000001 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.259999999999998 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.950000000000003 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.560000000000002 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.700000000000003 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.469999999999999 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.090000000000003 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.969999999999999 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.260000000000002 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.309999999999999 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.300000000000001 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.140000000000001 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.189999999999998 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.769999999999996 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.530000000000001 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.180000000000007 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.990000000000002 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.390000000000001 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.408 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.309999999999999 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.289999999999999 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.879999999999999 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.170000000000002 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.209999999999994 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.859999999999999 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.300000000000001 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.640000000000001 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.630000000000003 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.210000000000001 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.300000000000001 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.890000000000001 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.130000000000001 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.470000000000001 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.969999999999999 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 23.16 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.729999999999997 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.739999999999998 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.859999999999999 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 16.199999999999999 108.427 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.359999999999999 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.870000000000001 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.189999999999998 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.630000000000001 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.720000000000001 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.899999999999999 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.159999999999997 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.029999999999999 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.170000000000002 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.229999999999997 114.883 -170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.359999999999999 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.699999999999999 109.07 -167.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.629999999999999 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.629999999999999 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.489999999999998 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.260000000000002 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.100000000000001 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.609999999999999 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.460000000000001 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.130000000000001 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.490000000000002 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.350000000000001 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.939999999999998 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.260000000000002 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.769999999999996 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.299999999999997 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.450000000000003 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.729999999999997 108.648 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.479999999999997 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.710000000000001 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.109999999999999 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.700000000000003 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.050000000000001 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.100000000000001 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.170000000000002 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.280000000000001 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.719999999999999 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.559999999999999 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.489999999999998 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.670000000000002 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.869999999999997 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.259999999999998 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.140000000000001 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.840000000000003 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.109999999999999 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.240000000000002 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.920000000000002 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.079999999999998 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.890000000000001 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.120000000000001 116.297 172.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.799999999999997 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.149999999999999 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.850000000000001 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.494 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.609999999999999 111.162 -172.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.989999999999995 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.030000000000001 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.460000000000001 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.729999999999997 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.569999999999993 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.436 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.239999999999995 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.543 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.210000000000001 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.630000000000003 111.833 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.620000000000005 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.060000000000002 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.700000000000003 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.359999999999999 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.390000000000001 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.100000000000001 109.346 -174.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.159999999999997 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.859999999999999 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.090000000000003 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.079999999999998 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.109999999999999 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.309999999999999 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.510000000000005 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.939999999999998 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.059999999999999 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.840000000000003 109.209 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.340000000000003 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.039999999999999 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.099999999999994 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.280000000000001 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.575 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.280000000000001 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.729999999999997 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.230000000000004 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.960000000000001 113.892 176.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.799999999999997 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.069999999999993 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.740000000000002 115.385 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.199999999999999 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1083 ' ' ASN . . . . . 0.4 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.399999999999999 109.73 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.780000000000001 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.609999999999999 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.579999999999998 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.020000000000003 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.100000000000001 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.530000000000001 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.520000000000003 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.539999999999999 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.940000000000001 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.494 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.149999999999999 111.092 177.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.379999999999999 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.5 t60 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.509999999999998 107.973 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.780000000000001 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.260000000000002 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.408 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.219999999999999 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.150000000000006 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.119999999999997 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.240000000000002 111.73 -172.266 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.109999999999999 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.870000000000005 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.890000000000001 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.659999999999997 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.550000000000001 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.670000000000002 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.850000000000001 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.670000000000002 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.269999999999996 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.030000000000001 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.659999999999997 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.060000000000002 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 29.309999999999999 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.539999999999999 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.170000000000002 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.719999999999999 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.359999999999999 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.550000000000001 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.259999999999998 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.950000000000003 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.560000000000002 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.739999999999995 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.700000000000003 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.469999999999999 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.090000000000003 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.969999999999999 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.260000000000002 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.309999999999999 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.300000000000001 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.140000000000001 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.189999999999998 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.769999999999996 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.530000000000001 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.180000000000007 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.990000000000002 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.390000000000001 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.403 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.309999999999999 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.289999999999999 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.879999999999999 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.170000000000002 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.209999999999994 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.859999999999999 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.300000000000001 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.640000000000001 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.630000000000003 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.210000000000001 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.300000000000001 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.890000000000001 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.130000000000001 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.470000000000001 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.969999999999999 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 23.16 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.729999999999997 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.739999999999998 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.859999999999999 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 16.199999999999999 108.411 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.359999999999999 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.870000000000001 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.189999999999998 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.630000000000001 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.720000000000001 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.899999999999999 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.159999999999997 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.029999999999999 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.1 t60 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.170000000000002 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.229999999999997 114.865 -170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.359999999999999 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.699999999999999 109.051 -167.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.629999999999999 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.629999999999999 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.489999999999998 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.260000000000002 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.100000000000001 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.609999999999999 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.460000000000001 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.130000000000001 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.490000000000002 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.350000000000001 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.939999999999998 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.260000000000002 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.769999999999996 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.299999999999997 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.450000000000003 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.729999999999997 108.729 -172.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.479999999999997 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.710000000000001 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.109999999999999 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.700000000000003 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.100000000000001 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.170000000000002 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.280000000000001 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.719999999999999 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.559999999999999 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.489999999999998 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.670000000000002 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.869999999999997 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.259999999999998 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.140000000000001 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.840000000000003 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.109999999999999 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.240000000000002 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.920000000000002 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.079999999999998 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.890000000000001 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.120000000000001 116.258 172.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.799999999999997 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.149999999999999 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.850000000000001 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.494 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.609999999999999 111.204 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.454 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.989999999999995 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.030000000000001 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.460000000000001 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.729999999999997 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.569999999999993 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.239999999999995 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.542 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.210000000000001 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.630000000000003 111.771 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.620000000000005 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.060000000000002 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.700000000000003 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.359999999999999 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.390000000000001 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.100000000000001 109.356 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.159999999999997 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.859999999999999 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.090000000000003 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.079999999999998 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.109999999999999 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.309999999999999 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.510000000000005 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.939999999999998 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.059999999999999 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.840000000000003 109.288 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.340000000000003 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.039999999999999 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.099999999999994 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.280000000000001 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.280000000000001 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.729999999999997 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.230000000000004 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.960000000000001 113.896 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.799999999999997 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.069999999999993 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.740000000000002 115.416 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.199999999999999 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.399999999999999 109.732 -176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.780000000000001 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.609999999999999 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.579999999999998 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.556 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.020000000000003 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.100000000000001 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.530000000000001 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.520000000000003 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.539999999999999 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.940000000000001 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.494 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.149999999999999 111.155 177.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.379999999999999 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.9 t60 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.509999999999998 107.925 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.780000000000001 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.260000000000002 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.403 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.219999999999999 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.150000000000006 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.119999999999997 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.240000000000002 111.712 -172.272 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.109999999999999 109.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.870000000000005 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.890000000000001 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.659999999999997 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.550000000000001 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.670000000000002 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.850000000000001 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.670000000000002 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.269999999999996 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.030000000000001 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.659999999999997 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.060000000000002 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 29.309999999999999 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.539999999999999 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.170000000000002 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.719999999999999 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.359999999999999 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.550000000000001 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.259999999999998 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.950000000000003 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.560000000000002 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.739999999999995 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.700000000000003 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.469999999999999 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.090000000000003 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.969999999999999 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.260000000000002 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.309999999999999 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.300000000000001 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.140000000000001 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.189999999999998 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.769999999999996 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.530000000000001 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.180000000000007 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.990000000000002 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.390000000000001 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.309999999999999 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.289999999999999 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.879999999999999 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.170000000000002 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.209999999999994 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.859999999999999 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.300000000000001 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.640000000000001 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.630000000000003 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.210000000000001 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.890000000000001 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.130000000000001 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.470000000000001 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.969999999999999 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 23.16 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.729999999999997 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.739999999999998 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.859999999999999 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 16.199999999999999 108.393 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.359999999999999 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.870000000000001 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.189999999999998 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.630000000000001 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.720000000000001 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.899999999999999 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.159999999999997 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.029999999999999 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.170000000000002 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.229999999999997 114.882 -170.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.699999999999999 109.049 -167.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.629999999999999 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.629999999999999 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.489999999999998 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.260000000000002 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.100000000000001 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.609999999999999 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.460000000000001 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.130000000000001 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.350000000000001 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.939999999999998 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.260000000000002 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.769999999999996 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.299999999999997 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.450000000000003 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.729999999999997 108.832 -172.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.479999999999997 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.710000000000001 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.109999999999999 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.700000000000003 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.050000000000001 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.100000000000001 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.170000000000002 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.280000000000001 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.719999999999999 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.559999999999999 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.489999999999998 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.670000000000002 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.869999999999997 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.259999999999998 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.140000000000001 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.840000000000003 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.109999999999999 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.240000000000002 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.920000000000002 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.079999999999998 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.890000000000001 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.120000000000001 116.212 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.799999999999997 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.149999999999999 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.850000000000001 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.609999999999999 111.161 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.989999999999995 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.030000000000001 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.460000000000001 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.729999999999997 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.569999999999993 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.239999999999995 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.210000000000001 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.630000000000003 111.882 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.620000000000005 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.060000000000002 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.700000000000003 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.359999999999999 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.390000000000001 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.100000000000001 109.429 -174.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.159999999999997 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.859999999999999 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.090000000000003 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.079999999999998 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.109999999999999 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.309999999999999 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.510000000000005 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.939999999999998 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.059999999999999 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.840000000000003 109.225 175.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.340000000000003 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.039999999999999 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.099999999999994 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.280000000000001 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.280000000000001 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.729999999999997 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.230000000000004 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.960000000000001 113.765 176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.799999999999997 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.069999999999993 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.740000000000002 115.46 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.199999999999999 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.399999999999999 109.576 -176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.780000000000001 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.555 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.609999999999999 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.579999999999998 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.555 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.020000000000003 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.100000000000001 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.530000000000001 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.520000000000003 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.539999999999999 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.940000000000001 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.149999999999999 111.127 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.379999999999999 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.6 t60 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.509999999999998 107.903 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.780000000000001 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.260000000000002 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.219999999999999 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.150000000000006 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.119999999999997 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.240000000000002 111.676 -172.203 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.109999999999999 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.870000000000005 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.890000000000001 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.659999999999997 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.550000000000001 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.670000000000002 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.850000000000001 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.670000000000002 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.269999999999996 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.030000000000001 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.659999999999997 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.060000000000002 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 29.309999999999999 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.539999999999999 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.170000000000002 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.719999999999999 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.359999999999999 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.550000000000001 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.259999999999998 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.950000000000003 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.560000000000002 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.739999999999995 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.700000000000003 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.469999999999999 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.969999999999999 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.260000000000002 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.309999999999999 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.300000000000001 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.140000000000001 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.189999999999998 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.769999999999996 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.530000000000001 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.180000000000007 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.990000000000002 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.390000000000001 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.405 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.309999999999999 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.289999999999999 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.879999999999999 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.170000000000002 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.209999999999994 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.859999999999999 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.300000000000001 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.640000000000001 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.630000000000003 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.210000000000001 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.300000000000001 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.890000000000001 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.130000000000001 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.470000000000001 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.969999999999999 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 23.16 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.729999999999997 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.739999999999998 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.859999999999999 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 16.199999999999999 108.414 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.359999999999999 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.870000000000001 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.189999999999998 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.630000000000001 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.720000000000001 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.899999999999999 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.159999999999997 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.029999999999999 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 85.9 t60 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.170000000000002 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.229999999999997 114.869 -170.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.359999999999999 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.699999999999999 109.049 -167.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.629999999999999 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.629999999999999 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.489999999999998 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.260000000000002 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.100000000000001 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.609999999999999 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.460000000000001 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.130000000000001 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.490000000000002 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.350000000000001 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.939999999999998 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.260000000000002 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.769999999999996 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.450000000000003 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.729999999999997 108.828 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.479999999999997 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.710000000000001 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.109999999999999 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.700000000000003 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.100000000000001 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.170000000000002 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.280000000000001 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.719999999999999 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.559999999999999 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.489999999999998 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.670000000000002 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.869999999999997 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.259999999999998 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.140000000000001 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.840000000000003 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.109999999999999 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.240000000000002 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.920000000000002 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.890000000000001 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.120000000000001 116.318 172.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.799999999999997 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.149999999999999 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.850000000000001 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.609999999999999 111.146 -172.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.989999999999995 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.030000000000001 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.460000000000001 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.729999999999997 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.569999999999993 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.433 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.239999999999995 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.210000000000001 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.630000000000003 111.89 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.620000000000005 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.060000000000002 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.700000000000003 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.359999999999999 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.390000000000001 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.100000000000001 109.374 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.159999999999997 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.859999999999999 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.090000000000003 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.079999999999998 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.109999999999999 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.309999999999999 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.510000000000005 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.939999999999998 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.059999999999999 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.840000000000003 109.24 175.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.340000000000003 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.039999999999999 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.099999999999994 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.280000000000001 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.280000000000001 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.729999999999997 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.230000000000004 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.960000000000001 113.851 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.799999999999997 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.069999999999993 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.740000000000002 115.4 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.199999999999999 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.399999999999999 109.626 -176.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.780000000000001 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.609999999999999 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.579999999999998 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.554 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.020000000000003 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.100000000000001 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.530000000000001 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.520000000000003 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.539999999999999 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.940000000000001 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.149999999999999 111.133 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.379999999999999 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.722 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 56.5 t60 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.509999999999998 107.898 179.172 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.780000000000001 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.260000000000002 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.405 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.219999999999999 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.722 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.150000000000006 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.119999999999997 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.240000000000002 111.717 -172.285 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.109999999999999 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.870000000000005 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.890000000000001 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.659999999999997 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.550000000000001 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.670000000000002 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.850000000000001 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.670000000000002 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.269999999999996 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.030000000000001 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.659999999999997 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.060000000000002 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 29.309999999999999 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.539999999999999 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.170000000000002 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.719999999999999 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.359999999999999 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.550000000000001 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.259999999999998 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.950000000000003 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.560000000000002 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.739999999999995 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.700000000000003 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.469999999999999 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.090000000000003 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.969999999999999 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.260000000000002 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.309999999999999 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.300000000000001 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.140000000000001 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.189999999999998 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.769999999999996 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.530000000000001 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.180000000000007 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.990000000000002 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.390000000000001 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.402 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.309999999999999 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.289999999999999 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.879999999999999 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.170000000000002 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.209999999999994 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.859999999999999 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.300000000000001 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.640000000000001 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.630000000000003 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.210000000000001 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.300000000000001 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.890000000000001 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.130000000000001 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.470000000000001 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.969999999999999 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 23.16 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.729999999999997 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.739999999999998 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.859999999999999 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 16.199999999999999 108.398 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.359999999999999 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.870000000000001 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.189999999999998 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.630000000000001 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.720000000000001 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.899999999999999 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.159999999999997 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.029999999999999 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.170000000000002 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.229999999999997 114.87 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.359999999999999 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.48 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.699999999999999 109.071 -167.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.629999999999999 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.629999999999999 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.489999999999998 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.260000000000002 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.100000000000001 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.609999999999999 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.460000000000001 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.130000000000001 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.490000000000002 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.350000000000001 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.939999999999998 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.260000000000002 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.769999999999996 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.299999999999997 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.450000000000003 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.729999999999997 108.736 -172.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.479999999999997 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.710000000000001 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.109999999999999 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.700000000000003 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.050000000000001 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.100000000000001 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.170000000000002 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.280000000000001 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.719999999999999 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.559999999999999 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.489999999999998 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.670000000000002 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.869999999999997 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.259999999999998 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.140000000000001 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.840000000000003 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.109999999999999 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.240000000000002 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.920000000000002 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.890000000000001 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.55 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.120000000000001 116.371 172.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.799999999999997 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.149999999999999 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.850000000000001 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.609999999999999 111.214 -172.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.989999999999995 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.030000000000001 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.460000000000001 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.729999999999997 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.569999999999993 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.435 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.239999999999995 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.210000000000001 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.630000000000003 111.808 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.620000000000005 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.060000000000002 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.700000000000003 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.359999999999999 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.390000000000001 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.100000000000001 109.359 -174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.159999999999997 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.859999999999999 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.090000000000003 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.079999999999998 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.109999999999999 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.309999999999999 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.510000000000005 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.939999999999998 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.059999999999999 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.840000000000003 109.214 175.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.340000000000003 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.039999999999999 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.099999999999994 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.280000000000001 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.280000000000001 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.729999999999997 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.230000000000004 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.960000000000001 113.793 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.799999999999997 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.069999999999993 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.740000000000002 115.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.199999999999999 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.399999999999999 109.646 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.780000000000001 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.609999999999999 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.579999999999998 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.55 HD11 ' HE2' ' B' 1037 ' ' MET . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.020000000000003 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.100000000000001 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.530000000000001 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.520000000000003 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.539999999999999 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.940000000000001 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.149999999999999 111.053 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.379999999999999 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.4 t60 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.509999999999998 107.904 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.780000000000001 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.260000000000002 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.402 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.219999999999999 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.150000000000006 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.119999999999997 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.240000000000002 111.69 -172.312 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.109999999999999 109.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.870000000000005 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.890000000000001 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.659999999999997 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.550000000000001 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.850000000000001 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.670000000000002 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.269999999999996 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.030000000000001 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.659999999999997 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.060000000000002 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 29.309999999999999 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.539999999999999 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.170000000000002 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.719999999999999 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.359999999999999 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.550000000000001 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.259999999999998 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.950000000000003 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.560000000000002 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.739999999999995 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.700000000000003 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.469999999999999 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.090000000000003 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.969999999999999 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.260000000000002 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.309999999999999 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.300000000000001 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.140000000000001 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.189999999999998 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.769999999999996 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.530000000000001 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.180000000000007 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.990000000000002 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.390000000000001 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.401 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.309999999999999 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.289999999999999 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.879999999999999 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.170000000000002 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.209999999999994 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.859999999999999 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.300000000000001 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.640000000000001 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.630000000000003 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.210000000000001 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.300000000000001 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.890000000000001 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.130000000000001 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.470000000000001 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.969999999999999 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 23.16 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.729999999999997 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.739999999999998 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.859999999999999 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 16.199999999999999 108.389 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.359999999999999 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.870000000000001 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.189999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.630000000000001 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.720000000000001 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.899999999999999 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.159999999999997 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.029999999999999 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.170000000000002 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.229999999999997 114.888 -170.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.359999999999999 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.699999999999999 109.064 -167.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.629999999999999 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.629999999999999 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.489999999999998 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.260000000000002 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.100000000000001 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.609999999999999 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.460000000000001 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.130000000000001 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.490000000000002 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.350000000000001 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.939999999999998 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.260000000000002 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.769999999999996 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.299999999999997 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.450000000000003 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.729999999999997 108.715 -172.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.479999999999997 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.710000000000001 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.109999999999999 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.700000000000003 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.050000000000001 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.100000000000001 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.170000000000002 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.280000000000001 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.719999999999999 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.559999999999999 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.489999999999998 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.670000000000002 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.869999999999997 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.259999999999998 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.140000000000001 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.840000000000003 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.109999999999999 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.240000000000002 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.920000000000002 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.079999999999998 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.890000000000001 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.55 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.120000000000001 116.201 172.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.799999999999997 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.149999999999999 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.850000000000001 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.609999999999999 111.193 -172.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.989999999999995 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.030000000000001 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.460000000000001 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.729999999999997 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.569999999999993 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.239999999999995 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.210000000000001 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.630000000000003 111.882 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.620000000000005 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.060000000000002 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.700000000000003 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.359999999999999 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.390000000000001 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.100000000000001 109.357 -174.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.159999999999997 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.859999999999999 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.090000000000003 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.079999999999998 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.109999999999999 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.309999999999999 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.510000000000005 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.939999999999998 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.059999999999999 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.840000000000003 109.265 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.340000000000003 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.039999999999999 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.099999999999994 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.280000000000001 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.280000000000001 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.729999999999997 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.960000000000001 113.846 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.799999999999997 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.069999999999993 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.740000000000002 115.417 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.199999999999999 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.399999999999999 109.636 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.780000000000001 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.609999999999999 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.579999999999998 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.55 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.020000000000003 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.100000000000001 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.530000000000001 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.520000000000003 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.539999999999999 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.940000000000001 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.149999999999999 111.194 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.379999999999999 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.4 t60 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.509999999999998 107.906 179.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.780000000000001 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.260000000000002 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.401 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.219999999999999 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.150000000000006 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.119999999999997 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.240000000000002 111.707 -172.259 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.109999999999999 109.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.870000000000005 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.890000000000001 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.659999999999997 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.550000000000001 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.670000000000002 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.850000000000001 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.670000000000002 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.269999999999996 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.030000000000001 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.659999999999997 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.060000000000002 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 29.309999999999999 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.539999999999999 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.719999999999999 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.359999999999999 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.550000000000001 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.259999999999998 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.950000000000003 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.560000000000002 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.739999999999995 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.700000000000003 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.469999999999999 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.969999999999999 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.260000000000002 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.309999999999999 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.300000000000001 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.140000000000001 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.189999999999998 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.769999999999996 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.530000000000001 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.180000000000007 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.990000000000002 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.309999999999999 106.465 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.289999999999999 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.879999999999999 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.170000000000002 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.209999999999994 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.859999999999999 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.300000000000001 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.640000000000001 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.630000000000003 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.210000000000001 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.300000000000001 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.890000000000001 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.130000000000001 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.470000000000001 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.969999999999999 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 23.16 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.729999999999997 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.739999999999998 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.859999999999999 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 16.199999999999999 108.452 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.359999999999999 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.870000000000001 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.189999999999998 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.630000000000001 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.720000000000001 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.899999999999999 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.159999999999997 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.029999999999999 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.1 t60 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.170000000000002 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.229999999999997 114.852 -170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.359999999999999 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.699999999999999 109.054 -167.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.629999999999999 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.629999999999999 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.489999999999998 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.260000000000002 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.100000000000001 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.609999999999999 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.460000000000001 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.130000000000001 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.490000000000002 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.350000000000001 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.939999999999998 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.260000000000002 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.769999999999996 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.299999999999997 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.450000000000003 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.729999999999997 108.734 -172.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.479999999999997 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.710000000000001 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.109999999999999 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.700000000000003 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.050000000000001 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.100000000000001 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.170000000000002 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.280000000000001 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.719999999999999 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.559999999999999 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.489999999999998 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.670000000000002 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.869999999999997 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.259999999999998 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.140000000000001 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.840000000000003 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.109999999999999 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.240000000000002 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.920000000000002 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.079999999999998 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.890000000000001 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.120000000000001 116.263 172.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.799999999999997 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.149999999999999 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.850000000000001 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.609999999999999 111.185 -172.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.989999999999995 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.030000000000001 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.460000000000001 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.729999999999997 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.569999999999993 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.433 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.239999999999995 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.210000000000001 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.630000000000003 111.851 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.620000000000005 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.060000000000002 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.700000000000003 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.359999999999999 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.390000000000001 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.100000000000001 109.386 -174.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.159999999999997 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.859999999999999 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.090000000000003 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.079999999999998 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.109999999999999 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.309999999999999 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.510000000000005 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.939999999999998 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.059999999999999 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.840000000000003 109.189 175.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.340000000000003 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.039999999999999 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.099999999999994 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.280000000000001 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.280000000000001 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.729999999999997 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.230000000000004 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.960000000000001 113.794 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.799999999999997 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.069999999999993 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.740000000000002 115.367 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.199999999999999 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.399999999999999 109.6 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.780000000000001 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.609999999999999 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.579999999999998 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.020000000000003 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.100000000000001 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.530000000000001 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.520000000000003 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.539999999999999 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.940000000000001 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.149999999999999 111.19 177.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.379999999999999 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.4 t60 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.509999999999998 107.901 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.780000000000001 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.260000000000002 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.219999999999999 109.319 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.150000000000006 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.119999999999997 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.240000000000002 111.688 -172.238 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.109999999999999 109.235 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.870000000000005 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.890000000000001 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.659999999999997 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.550000000000001 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.670000000000002 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.850000000000001 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.670000000000002 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.269999999999996 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.030000000000001 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.659999999999997 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.060000000000002 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 29.309999999999999 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.539999999999999 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.719999999999999 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.359999999999999 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.550000000000001 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.259999999999998 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.950000000000003 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.560000000000002 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.739999999999995 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.700000000000003 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.469999999999999 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.090000000000003 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.969999999999999 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.260000000000002 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.309999999999999 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.300000000000001 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.140000000000001 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.189999999999998 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.769999999999996 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.530000000000001 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.180000000000007 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.990000000000002 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.309999999999999 106.527 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.289999999999999 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.879999999999999 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.170000000000002 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.209999999999994 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.859999999999999 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.300000000000001 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.640000000000001 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.630000000000003 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.210000000000001 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.300000000000001 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.890000000000001 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.130000000000001 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.470000000000001 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.969999999999999 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 23.16 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.729999999999997 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.739999999999998 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.859999999999999 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 16.199999999999999 108.461 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.359999999999999 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.870000000000001 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.189999999999998 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.630000000000001 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.899999999999999 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.159999999999997 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.029999999999999 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.170000000000002 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.229999999999997 114.891 -170.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.359999999999999 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.699999999999999 109.036 -167.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.629999999999999 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.629999999999999 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.489999999999998 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.260000000000002 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.100000000000001 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.609999999999999 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.460000000000001 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.130000000000001 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.350000000000001 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.939999999999998 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.260000000000002 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.769999999999996 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.299999999999997 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.450000000000003 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.729999999999997 108.75 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.479999999999997 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.710000000000001 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.109999999999999 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.700000000000003 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.050000000000001 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.100000000000001 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.170000000000002 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.280000000000001 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.719999999999999 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.559999999999999 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.489999999999998 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.670000000000002 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.869999999999997 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.259999999999998 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.140000000000001 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.840000000000003 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.109999999999999 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.240000000000002 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.920000000000002 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.079999999999998 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.890000000000001 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.120000000000001 116.279 172.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.799999999999997 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.683 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.149999999999999 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.850000000000001 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.498 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.609999999999999 111.154 -172.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.989999999999995 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.030000000000001 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.460000000000001 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.729999999999997 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.569999999999993 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.43 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.239999999999995 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.210000000000001 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.630000000000003 111.815 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.620000000000005 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.060000000000002 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.700000000000003 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.359999999999999 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.390000000000001 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.100000000000001 109.507 -174.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.159999999999997 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.859999999999999 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.090000000000003 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.079999999999998 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.109999999999999 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.309999999999999 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.510000000000005 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.939999999999998 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.059999999999999 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.840000000000003 109.291 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.340000000000003 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.039999999999999 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.099999999999994 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.280000000000001 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.280000000000001 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.729999999999997 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.960000000000001 113.795 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.799999999999997 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.069999999999993 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.740000000000002 115.442 -178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.199999999999999 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.399999999999999 109.653 -176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.780000000000001 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.609999999999999 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.579999999999998 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.020000000000003 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.100000000000001 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.530000000000001 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.520000000000003 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.539999999999999 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.940000000000001 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.498 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.149999999999999 111.22 177.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.379999999999999 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.509999999999998 107.943 179.159 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.780000000000001 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.260000000000002 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.219999999999999 109.323 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.150000000000006 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.119999999999997 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.240000000000002 111.691 -172.196 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.109999999999999 109.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.870000000000005 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.890000000000001 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.659999999999997 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.550000000000001 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.670000000000002 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.850000000000001 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.670000000000002 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.269999999999996 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.030000000000001 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.659999999999997 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.060000000000002 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 29.309999999999999 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.539999999999999 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.170000000000002 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.719999999999999 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.359999999999999 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.550000000000001 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.259999999999998 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.950000000000003 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.560000000000002 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.739999999999995 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.700000000000003 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.469999999999999 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.090000000000003 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.969999999999999 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.260000000000002 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.309999999999999 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.300000000000001 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.140000000000001 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.189999999999998 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.769999999999996 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.530000000000001 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.180000000000007 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.990000000000002 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.390000000000001 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.309999999999999 106.516 178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.289999999999999 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.879999999999999 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.170000000000002 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.209999999999994 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.859999999999999 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.300000000000001 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.640000000000001 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.630000000000003 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.210000000000001 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.300000000000001 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.890000000000001 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.130000000000001 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.470000000000001 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.969999999999999 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 23.16 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.729999999999997 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.739999999999998 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.859999999999999 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 16.199999999999999 108.466 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.359999999999999 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.870000000000001 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.189999999999998 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.630000000000001 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.720000000000001 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.899999999999999 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.159999999999997 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.029999999999999 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 85.9 t60 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.170000000000002 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.229999999999997 114.852 -170.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.359999999999999 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.699999999999999 109.006 -167.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.629999999999999 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.629999999999999 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.489999999999998 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.260000000000002 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.100000000000001 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.609999999999999 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.460000000000001 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.130000000000001 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.490000000000002 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.350000000000001 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.939999999999998 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.260000000000002 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.769999999999996 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.299999999999997 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.450000000000003 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.729999999999997 108.746 -172.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.479999999999997 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.710000000000001 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.109999999999999 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.700000000000003 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.050000000000001 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.100000000000001 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.170000000000002 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.280000000000001 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.719999999999999 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.559999999999999 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.489999999999998 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.670000000000002 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.869999999999997 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.259999999999998 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.140000000000001 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.840000000000003 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.109999999999999 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.240000000000002 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.920000000000002 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.079999999999998 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.890000000000001 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.553 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.120000000000001 116.2 172.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.799999999999997 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.149999999999999 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.850000000000001 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.609999999999999 111.144 -172.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.989999999999995 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.030000000000001 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.460000000000001 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.729999999999997 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.569999999999993 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.239999999999995 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.210000000000001 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.630000000000003 111.857 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.620000000000005 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.060000000000002 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.700000000000003 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.359999999999999 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.390000000000001 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.100000000000001 109.465 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.159999999999997 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.859999999999999 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.090000000000003 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.079999999999998 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.109999999999999 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.309999999999999 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.510000000000005 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.939999999999998 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.059999999999999 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.840000000000003 109.112 175.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.340000000000003 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.039999999999999 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.099999999999994 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.280000000000001 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.280000000000001 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.729999999999997 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.230000000000004 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.960000000000001 113.832 176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.799999999999997 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.069999999999993 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.740000000000002 115.396 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.199999999999999 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.399999999999999 109.682 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.780000000000001 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.609999999999999 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.579999999999998 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.553 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.020000000000003 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.100000000000001 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.530000000000001 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.520000000000003 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.539999999999999 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.940000000000001 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.149999999999999 111.175 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.379999999999999 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.509999999999998 107.9 179.176 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.780000000000001 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.260000000000002 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.219999999999999 109.384 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.150000000000006 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.119999999999997 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.240000000000002 111.741 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.109999999999999 109.302 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.870000000000005 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.890000000000001 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.659999999999997 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.550000000000001 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.670000000000002 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.850000000000001 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.670000000000002 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.269999999999996 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.030000000000001 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.659999999999997 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.060000000000002 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 29.309999999999999 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.539999999999999 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.170000000000002 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.719999999999999 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.359999999999999 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.550000000000001 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.259999999999998 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.950000000000003 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.560000000000002 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.739999999999995 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.700000000000003 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.469999999999999 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.090000000000003 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.969999999999999 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.260000000000002 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.309999999999999 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.300000000000001 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.140000000000001 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.189999999999998 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.769999999999996 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.180000000000007 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.990000000000002 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.390000000000001 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.309999999999999 106.489 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.289999999999999 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.879999999999999 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.170000000000002 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.209999999999994 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.859999999999999 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.300000000000001 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.640000000000001 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.630000000000003 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.210000000000001 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.300000000000001 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.890000000000001 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.130000000000001 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.470000000000001 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.969999999999999 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 23.16 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.729999999999997 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.739999999999998 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.859999999999999 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 16.199999999999999 108.468 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.359999999999999 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.870000000000001 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.189999999999998 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.630000000000001 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.720000000000001 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.899999999999999 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.159999999999997 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.029999999999999 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.170000000000002 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.229999999999997 114.9 -170.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.699999999999999 109.093 -167.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.629999999999999 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.629999999999999 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.489999999999998 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.260000000000002 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.100000000000001 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.609999999999999 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.460000000000001 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.130000000000001 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.490000000000002 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.350000000000001 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.939999999999998 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.260000000000002 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.769999999999996 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.299999999999997 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.450000000000003 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.729999999999997 108.708 -172.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.479999999999997 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.710000000000001 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.109999999999999 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.700000000000003 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.050000000000001 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.100000000000001 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.170000000000002 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.280000000000001 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.719999999999999 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.559999999999999 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.489999999999998 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.670000000000002 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.869999999999997 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.259999999999998 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.140000000000001 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.840000000000003 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.109999999999999 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.240000000000002 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.920000000000002 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.079999999999998 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.890000000000001 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.120000000000001 116.257 172.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.799999999999997 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.149999999999999 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.850000000000001 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.496 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.609999999999999 111.172 -172.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.989999999999995 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.030000000000001 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.460000000000001 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.729999999999997 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.569999999999993 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.431 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.239999999999995 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.210000000000001 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.466 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.630000000000003 111.835 -179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.620000000000005 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.060000000000002 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.700000000000003 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.359999999999999 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.390000000000001 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.466 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.100000000000001 109.397 -174.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.159999999999997 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.859999999999999 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.090000000000003 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.079999999999998 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.109999999999999 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.309999999999999 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.510000000000005 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.939999999999998 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.059999999999999 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.431 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.840000000000003 109.16 175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.340000000000003 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.039999999999999 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.099999999999994 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.280000000000001 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.280000000000001 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.729999999999997 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.230000000000004 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.44 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.960000000000001 113.749 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.571 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.799999999999997 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.069999999999993 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.740000000000002 115.455 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.199999999999999 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.399999999999999 109.65 -176.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.780000000000001 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.609999999999999 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.579999999999998 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.020000000000003 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.100000000000001 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.530000000000001 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.520000000000003 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.539999999999999 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.940000000000001 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.496 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.149999999999999 111.143 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.379999999999999 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.9 t60 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.509999999999998 107.897 179.221 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.780000000000001 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.260000000000002 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.219999999999999 109.394 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.150000000000006 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.119999999999997 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.240000000000002 111.71 -172.276 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.109999999999999 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.870000000000005 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.890000000000001 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.659999999999997 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.550000000000001 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.670000000000002 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.850000000000001 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.670000000000002 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.269999999999996 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.030000000000001 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.523 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.659999999999997 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.060000000000002 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 29.309999999999999 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.539999999999999 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.170000000000002 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.719999999999999 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.359999999999999 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.550000000000001 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.259999999999998 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.950000000000003 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.560000000000002 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.739999999999995 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.700000000000003 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.469999999999999 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.090000000000003 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.969999999999999 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.260000000000002 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.309999999999999 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.300000000000001 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.140000000000001 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.189999999999998 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.769999999999996 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.530000000000001 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.180000000000007 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.990000000000002 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.390000000000001 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.408 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.309999999999999 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.289999999999999 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.879999999999999 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.170000000000002 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.209999999999994 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.859999999999999 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.300000000000001 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.640000000000001 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.630000000000003 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.210000000000001 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.300000000000001 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.890000000000001 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.130000000000001 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.470000000000001 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.969999999999999 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 23.16 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.729999999999997 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.739999999999998 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.859999999999999 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 16.199999999999999 108.464 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.359999999999999 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.870000000000001 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.189999999999998 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.630000000000001 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.720000000000001 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.899999999999999 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.159999999999997 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.029999999999999 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.170000000000002 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.229999999999997 114.876 -170.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.359999999999999 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.699999999999999 109.056 -167.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.629999999999999 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.629999999999999 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.489999999999998 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.260000000000002 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.100000000000001 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.609999999999999 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.460000000000001 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.130000000000001 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.350000000000001 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.939999999999998 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.260000000000002 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.769999999999996 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.299999999999997 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.450000000000003 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.729999999999997 108.799 -172.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.479999999999997 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.710000000000001 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.109999999999999 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.700000000000003 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.050000000000001 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.100000000000001 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.170000000000002 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.280000000000001 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.719999999999999 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.559999999999999 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.489999999999998 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.670000000000002 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.869999999999997 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.259999999999998 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.140000000000001 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.840000000000003 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.109999999999999 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.240000000000002 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.920000000000002 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.079999999999998 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.890000000000001 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.120000000000001 116.332 172.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.799999999999997 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.149999999999999 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.850000000000001 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.609999999999999 111.173 -172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.989999999999995 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.030000000000001 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.460000000000001 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.729999999999997 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.569999999999993 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.434 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.239999999999995 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.210000000000001 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.630000000000003 111.904 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.620000000000005 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.060000000000002 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.700000000000003 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.359999999999999 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.390000000000001 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.100000000000001 109.398 -174.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.159999999999997 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.859999999999999 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.090000000000003 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.079999999999998 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.109999999999999 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.309999999999999 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.510000000000005 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.939999999999998 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.059999999999999 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.840000000000003 109.198 175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.340000000000003 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.039999999999999 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.099999999999994 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.280000000000001 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.280000000000001 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.729999999999997 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.230000000000004 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.960000000000001 113.887 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.799999999999997 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.069999999999993 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.740000000000002 115.415 -178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.199999999999999 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.399999999999999 109.643 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.780000000000001 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.609999999999999 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.579999999999998 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.553 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.020000000000003 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.100000000000001 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.530000000000001 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.520000000000003 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.539999999999999 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.940000000000001 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.149999999999999 111.102 177.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.379999999999999 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.254 56.4 t60 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.509999999999998 107.881 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.780000000000001 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.260000000000002 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.408 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.219999999999999 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.150000000000006 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.119999999999997 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.240000000000002 111.746 -172.255 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.109999999999999 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.870000000000005 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.890000000000001 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.659999999999997 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.550000000000001 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.670000000000002 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.850000000000001 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.670000000000002 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.269999999999996 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.030000000000001 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.522 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.659999999999997 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.060000000000002 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 29.309999999999999 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.539999999999999 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.170000000000002 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.719999999999999 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.359999999999999 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.550000000000001 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.259999999999998 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.950000000000003 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.560000000000002 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.700000000000003 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.469999999999999 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.090000000000003 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.969999999999999 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.260000000000002 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.309999999999999 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.300000000000001 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.140000000000001 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.189999999999998 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.769999999999996 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.530000000000001 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.180000000000007 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.990000000000002 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.390000000000001 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.401 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.309999999999999 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.289999999999999 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.879999999999999 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.170000000000002 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.47 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.209999999999994 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.859999999999999 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.47 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.300000000000001 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.640000000000001 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.630000000000003 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.210000000000001 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.300000000000001 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.890000000000001 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.130000000000001 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.470000000000001 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.969999999999999 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 23.16 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.729999999999997 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.739999999999998 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.859999999999999 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 16.199999999999999 108.468 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.359999999999999 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.870000000000001 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.189999999999998 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.630000000000001 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.720000000000001 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.899999999999999 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.159999999999997 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.029999999999999 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.170000000000002 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.229999999999997 114.898 -170.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.359999999999999 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.699999999999999 109.075 -167.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.629999999999999 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.629999999999999 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.489999999999998 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.260000000000002 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.100000000000001 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.609999999999999 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.460000000000001 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.130000000000001 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.490000000000002 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.350000000000001 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.939999999999998 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.260000000000002 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.769999999999996 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.299999999999997 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.450000000000003 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.729999999999997 108.762 -172.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.479999999999997 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.710000000000001 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.109999999999999 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.700000000000003 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.050000000000001 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.100000000000001 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.170000000000002 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.280000000000001 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.719999999999999 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.559999999999999 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.489999999999998 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.670000000000002 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.869999999999997 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.259999999999998 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.140000000000001 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.840000000000003 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.109999999999999 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.240000000000002 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.920000000000002 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.684 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.079999999999998 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.890000000000001 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.548 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.120000000000001 116.338 172.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.799999999999997 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.684 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.149999999999999 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.850000000000001 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.609999999999999 111.273 -172.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.989999999999995 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.030000000000001 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.460000000000001 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.729999999999997 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.569999999999993 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.436 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.239999999999995 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.544 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.210000000000001 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.465 ' HB2' ' HG1' ' B' 1058 ' ' THR . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.630000000000003 111.82 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.620000000000005 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.060000000000002 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.700000000000003 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.359999999999999 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.390000000000001 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.100000000000001 109.424 -174.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.159999999999997 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.859999999999999 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.090000000000003 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.079999999999998 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.109999999999999 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.309999999999999 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.510000000000005 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.939999999999998 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.059999999999999 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.840000000000003 109.249 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.340000000000003 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.039999999999999 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.099999999999994 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.280000000000001 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.574 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.280000000000001 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.729999999999997 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.230000000000004 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.960000000000001 113.824 176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.574 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.799999999999997 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.069999999999993 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.740000000000002 115.436 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.199999999999999 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1083 ' ' ASN . . . . . 0.4 ' C ' HD21 ' B' 1083 ' ' ASN . 0.4 OUTLIER -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.399999999999999 109.693 -176.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.780000000000001 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.609999999999999 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.579999999999998 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.548 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.552 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.020000000000003 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.100000000000001 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.530000000000001 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.520000000000003 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.539999999999999 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.940000000000001 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.149999999999999 111.197 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.379999999999999 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.719 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.3 t60 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.509999999999998 107.909 179.228 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.780000000000001 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.260000000000002 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.401 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.219999999999999 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.719 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.150000000000006 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.119999999999997 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.240000000000002 111.641 -172.197 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.109999999999999 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.870000000000005 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.890000000000001 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.659999999999997 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.550000000000001 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.670000000000002 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.850000000000001 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.670000000000002 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.269999999999996 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.030000000000001 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.659999999999997 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.060000000000002 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 29.309999999999999 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.539999999999999 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.170000000000002 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.719999999999999 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.359999999999999 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.550000000000001 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.259999999999998 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.950000000000003 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.560000000000002 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.739999999999995 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.700000000000003 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.469999999999999 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.090000000000003 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.969999999999999 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.260000000000002 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.309999999999999 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.300000000000001 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.140000000000001 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.189999999999998 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.769999999999996 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.530000000000001 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.180000000000007 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.990000000000002 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.390000000000001 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.309999999999999 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.289999999999999 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.879999999999999 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.170000000000002 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.209999999999994 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.859999999999999 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.300000000000001 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.640000000000001 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.630000000000003 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.210000000000001 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.300000000000001 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.890000000000001 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.130000000000001 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.470000000000001 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.969999999999999 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 23.16 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.729999999999997 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.739999999999998 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.859999999999999 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 16.199999999999999 108.418 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.359999999999999 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.870000000000001 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.189999999999998 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.630000000000001 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.720000000000001 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.899999999999999 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.159999999999997 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.029999999999999 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.170000000000002 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.229999999999997 114.873 -170.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.359999999999999 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.699999999999999 109.031 -167.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.629999999999999 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.629999999999999 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.489999999999998 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.260000000000002 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.100000000000001 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.609999999999999 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.460000000000001 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.533 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.130000000000001 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.490000000000002 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.350000000000001 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.939999999999998 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.260000000000002 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.769999999999996 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.299999999999997 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.450000000000003 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.729999999999997 108.697 -172.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.479999999999997 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.710000000000001 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.109999999999999 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.700000000000003 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.050000000000001 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.100000000000001 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.170000000000002 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.280000000000001 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.719999999999999 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.559999999999999 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.489999999999998 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.670000000000002 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.869999999999997 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.259999999999998 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.140000000000001 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.840000000000003 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.109999999999999 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.240000000000002 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.920000000000002 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.079999999999998 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.890000000000001 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.120000000000001 116.339 172.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.799999999999997 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.149999999999999 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.850000000000001 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.609999999999999 111.194 -172.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.989999999999995 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.030000000000001 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.460000000000001 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.729999999999997 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.569999999999993 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.239999999999995 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.546 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.210000000000001 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.466 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.630000000000003 111.811 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.620000000000005 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.060000000000002 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.700000000000003 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.359999999999999 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.390000000000001 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.466 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.100000000000001 109.375 -174.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.159999999999997 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.859999999999999 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.090000000000003 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.079999999999998 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.109999999999999 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.309999999999999 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.510000000000005 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.939999999999998 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.059999999999999 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.441 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.840000000000003 109.256 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.340000000000003 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.039999999999999 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.099999999999994 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.280000000000001 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.280000000000001 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.729999999999997 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.230000000000004 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.960000000000001 113.892 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.799999999999997 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.069999999999993 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.740000000000002 115.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.199999999999999 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.399999999999999 109.764 -176.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.780000000000001 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.609999999999999 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.579999999999998 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.020000000000003 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.100000000000001 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.530000000000001 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.520000000000003 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.539999999999999 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.940000000000001 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.149999999999999 111.194 177.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.379999999999999 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.721 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.1 t60 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.509999999999998 107.871 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.780000000000001 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.260000000000002 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.219999999999999 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.721 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.150000000000006 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1101 ' ' ILE . . . . . 0.402 HD11 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.119999999999997 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.240000000000002 111.716 -172.242 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.109999999999999 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.870000000000005 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.890000000000001 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.659999999999997 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.550000000000001 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.670000000000002 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.850000000000001 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.670000000000002 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.269999999999996 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.030000000000001 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.524 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.659999999999997 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.060000000000002 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 29.309999999999999 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.539999999999999 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.170000000000002 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.719999999999999 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.359999999999999 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.550000000000001 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.259999999999998 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.950000000000003 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.560000000000002 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.739999999999995 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.700000000000003 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.469999999999999 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.090000000000003 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.969999999999999 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.260000000000002 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.406 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.309999999999999 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.300000000000001 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.140000000000001 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.189999999999998 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.769999999999996 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.530000000000001 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.180000000000007 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.990000000000002 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.390000000000001 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.309999999999999 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.289999999999999 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.879999999999999 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.170000000000002 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.209999999999994 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.859999999999999 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.300000000000001 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.640000000000001 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.630000000000003 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.210000000000001 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.300000000000001 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.890000000000001 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.130000000000001 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.470000000000001 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.969999999999999 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 23.16 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.729999999999997 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.739999999999998 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.859999999999999 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 16.199999999999999 108.444 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.359999999999999 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.870000000000001 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.189999999999998 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.630000000000001 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.720000000000001 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.899999999999999 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.159999999999997 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.029999999999999 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.170000000000002 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.229999999999997 114.905 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.359999999999999 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.699999999999999 109.055 -167.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.629999999999999 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.629999999999999 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.489999999999998 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.260000000000002 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.100000000000001 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.609999999999999 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.460000000000001 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.130000000000001 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.350000000000001 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.939999999999998 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.260000000000002 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.769999999999996 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.299999999999997 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.450000000000003 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.729999999999997 108.734 -172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.479999999999997 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.710000000000001 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.109999999999999 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.700000000000003 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.050000000000001 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.100000000000001 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.170000000000002 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.280000000000001 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.719999999999999 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.559999999999999 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.489999999999998 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.670000000000002 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.869999999999997 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.259999999999998 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.140000000000001 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.840000000000003 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.109999999999999 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.240000000000002 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.920000000000002 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.685 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.079999999999998 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.890000000000001 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.552 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.120000000000001 116.246 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.799999999999997 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.149999999999999 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.850000000000001 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.609999999999999 111.124 -172.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.989999999999995 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.030000000000001 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.460000000000001 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.729999999999997 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.569999999999993 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.239999999999995 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.547 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.210000000000001 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.464 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.630000000000003 111.874 -179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.620000000000005 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.060000000000002 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.700000000000003 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.359999999999999 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.390000000000001 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.464 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.100000000000001 109.442 -174.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.159999999999997 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.451 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.859999999999999 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.090000000000003 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.079999999999998 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.109999999999999 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.309999999999999 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.510000000000005 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.939999999999998 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.059999999999999 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.840000000000003 109.216 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.340000000000003 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.039999999999999 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.099999999999994 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.280000000000001 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.280000000000001 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.729999999999997 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.230000000000004 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.960000000000001 113.898 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.799999999999997 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.069999999999993 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.740000000000002 115.396 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.199999999999999 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.399999999999999 109.652 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.780000000000001 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.609999999999999 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.579999999999998 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.552 HD11 ' HE2' ' B' 1037 ' ' MET . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.551 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.020000000000003 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.100000000000001 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.530000000000001 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.520000000000003 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.539999999999999 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.940000000000001 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.149999999999999 111.225 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.379999999999999 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.72 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.4 t60 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.509999999999998 107.874 179.226 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.780000000000001 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.260000000000002 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.219999999999999 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.72 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.150000000000006 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1101 ' ' ILE . . . . . 0.403 HD11 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.119999999999997 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.240000000000002 111.714 -172.266 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.109999999999999 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.870000000000005 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.890000000000001 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.659999999999997 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.550000000000001 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.670000000000002 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.850000000000001 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.670000000000002 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.269999999999996 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.030000000000001 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.528 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.659999999999997 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.060000000000002 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 29.309999999999999 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.539999999999999 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.170000000000002 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.719999999999999 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.359999999999999 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.550000000000001 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.259999999999998 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.950000000000003 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.560000000000002 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.739999999999995 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.700000000000003 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.469999999999999 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.090000000000003 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.969999999999999 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.260000000000002 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.402 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.309999999999999 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.300000000000001 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.140000000000001 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.189999999999998 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.769999999999996 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.180000000000007 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.990000000000002 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.390000000000001 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.309999999999999 106.523 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.289999999999999 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.879999999999999 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.170000000000002 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.209999999999994 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.859999999999999 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.300000000000001 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.640000000000001 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.630000000000003 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.210000000000001 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.300000000000001 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.890000000000001 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.130000000000001 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.470000000000001 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.969999999999999 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 23.16 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.729999999999997 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.739999999999998 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.859999999999999 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 16.199999999999999 108.421 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.359999999999999 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.870000000000001 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.189999999999998 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.630000000000001 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.720000000000001 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.899999999999999 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.159999999999997 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.029999999999999 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.170000000000002 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.229999999999997 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.359999999999999 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.699999999999999 109.02 -167.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.629999999999999 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.629999999999999 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.489999999999998 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.260000000000002 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.100000000000001 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.609999999999999 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.460000000000001 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.130000000000001 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.490000000000002 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.350000000000001 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.939999999999998 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.260000000000002 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.769999999999996 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.299999999999997 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.450000000000003 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.729999999999997 108.768 -172.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.479999999999997 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.710000000000001 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.109999999999999 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.700000000000003 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.050000000000001 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.100000000000001 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.170000000000002 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.280000000000001 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.719999999999999 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.559999999999999 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.489999999999998 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.670000000000002 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.869999999999997 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.259999999999998 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.140000000000001 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.840000000000003 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.109999999999999 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.240000000000002 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.920000000000002 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.079999999999998 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.890000000000001 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.555 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.120000000000001 116.306 172.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.799999999999997 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.149999999999999 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.850000000000001 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.497 HD13 ' HH ' ' B' 1094 ' ' TYR . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.609999999999999 111.281 -172.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.989999999999995 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.638 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.030000000000001 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.460000000000001 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.729999999999997 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.569999999999993 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.424 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.239999999999995 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.545 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.210000000000001 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.463 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.630000000000003 111.891 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.620000000000005 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.060000000000002 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.700000000000003 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.359999999999999 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.390000000000001 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.463 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.100000000000001 109.263 -174.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.159999999999997 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.859999999999999 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.090000000000003 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.079999999999998 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.109999999999999 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.309999999999999 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.510000000000005 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.939999999999998 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.059999999999999 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.840000000000003 109.184 175.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.340000000000003 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.039999999999999 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.099999999999994 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.280000000000001 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.280000000000001 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.729999999999997 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.230000000000004 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.443 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.960000000000001 113.812 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.572 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.799999999999997 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.069999999999993 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.443 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.740000000000002 115.453 -178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.199999999999999 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.399999999999999 109.647 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.780000000000001 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.609999999999999 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.579999999999998 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.555 HD11 ' HE2' ' B' 1037 ' ' MET . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.554 HG22 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.020000000000003 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.100000000000001 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.530000000000001 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.520000000000003 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.539999999999999 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.940000000000001 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.497 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.149999999999999 111.125 177.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.379999999999999 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.718 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.509999999999998 107.915 179.15 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.780000000000001 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.260000000000002 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.219999999999999 109.409 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.718 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.150000000000006 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1101 ' ' ILE . . . . . 0.402 HD11 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.119999999999997 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.240000000000002 111.68 -172.194 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.109999999999999 109.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.870000000000005 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.890000000000001 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.659999999999997 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.550000000000001 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.670000000000002 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.850000000000001 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.670000000000002 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.269999999999996 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.030000000000001 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.53 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.659999999999997 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.060000000000002 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 29.309999999999999 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.539999999999999 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.170000000000002 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.719999999999999 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.359999999999999 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.550000000000001 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.259999999999998 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.950000000000003 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.560000000000002 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.739999999999995 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.700000000000003 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.469999999999999 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.090000000000003 108.349 160.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.969999999999999 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.260000000000002 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' SER . . . . . . . . . . . . . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.309999999999999 106.594 174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.300000000000001 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.140000000000001 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.189999999999998 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.769999999999996 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.530000000000001 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.180000000000007 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.990000000000002 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.390000000000001 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.309999999999999 106.513 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.289999999999999 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.879999999999999 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.170000000000002 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.209999999999994 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.859999999999999 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.300000000000001 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.640000000000001 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.630000000000003 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.210000000000001 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.300000000000001 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.890000000000001 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.130000000000001 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.470000000000001 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.969999999999999 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 23.16 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.729999999999997 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.739999999999998 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.859999999999999 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 16.199999999999999 108.404 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.359999999999999 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.870000000000001 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.189999999999998 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.630000000000001 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.720000000000001 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.899999999999999 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.159999999999997 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.029999999999999 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.170000000000002 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.229999999999997 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.359999999999999 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.699999999999999 109.089 -167.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.629999999999999 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.629999999999999 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.489999999999998 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.260000000000002 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.100000000000001 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.609999999999999 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.460000000000001 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.130000000000001 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.490000000000002 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.350000000000001 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.939999999999998 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.260000000000002 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.769999999999996 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.299999999999997 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1011 ' ' ILE . . . . . 0.409 HD11 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.450000000000003 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.729999999999997 108.753 -172.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.479999999999997 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.710000000000001 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.109999999999999 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.700000000000003 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.050000000000001 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.100000000000001 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.170000000000002 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.280000000000001 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.719999999999999 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.559999999999999 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.489999999999998 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.670000000000002 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.869999999999997 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.259999999999998 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.140000000000001 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.840000000000003 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.109999999999999 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.240000000000002 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.920000000000002 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.696 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.079999999999998 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.890000000000001 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.557 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.120000000000001 116.287 172.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.799999999999997 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.696 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.149999999999999 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.850000000000001 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.498 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.609999999999999 111.155 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.989999999999995 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.639 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.030000000000001 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.460000000000001 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.729999999999997 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.569999999999993 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.416 ' HB3' ' HE1' ' B' 1048 ' ' MET . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.239999999999995 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.546 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.210000000000001 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.462 ' HB2' ' HG1' ' B' 1058 ' ' THR . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.630000000000003 111.801 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.620000000000005 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.060000000000002 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.700000000000003 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.359999999999999 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.390000000000001 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.462 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.100000000000001 109.452 -174.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.159999999999997 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.859999999999999 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.090000000000003 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.079999999999998 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.109999999999999 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.309999999999999 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.510000000000005 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.939999999999998 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.059999999999999 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.840000000000003 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.340000000000003 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.039999999999999 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.099999999999994 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.280000000000001 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.573 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.280000000000001 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.729999999999997 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.230000000000004 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.442 ' HA ' ' HG ' ' B' 1081 ' ' SER . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.960000000000001 113.889 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.573 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.799999999999997 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.069999999999993 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.442 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.740000000000002 115.379 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.199999999999999 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.399999999999999 109.684 -176.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.780000000000001 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.609999999999999 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.579999999999998 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.557 HD11 ' HE2' ' B' 1037 ' ' MET . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.557 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.020000000000003 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.100000000000001 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.530000000000001 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.520000000000003 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.539999999999999 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.940000000000001 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.498 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.149999999999999 111.226 177.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.379999999999999 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 57.0 t60 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.509999999999998 107.888 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.780000000000001 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.260000000000002 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1099 ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.219999999999999 109.365 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.150000000000006 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1101 ' ' ILE . . . . . 0.407 HD11 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.119999999999997 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.240000000000002 111.666 -172.248 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.109999999999999 109.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.870000000000005 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.890000000000001 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.659999999999997 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.550000000000001 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.670000000000002 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.850000000000001 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.670000000000002 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.269999999999996 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.030000000000001 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' PRO . . . . . 0.529 ' HB2' HD23 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.659999999999997 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.060000000000002 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 29.309999999999999 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.539999999999999 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.170000000000002 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.719999999999999 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.359999999999999 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.550000000000001 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.259999999999998 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.950000000000003 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.560000000000002 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.739999999999995 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.700000000000003 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.469999999999999 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.090000000000003 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.969999999999999 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.260000000000002 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' SER . . . . . 0.401 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.309999999999999 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.300000000000001 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.140000000000001 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.189999999999998 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.769999999999996 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.530000000000001 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.180000000000007 108.129 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.990000000000002 107.791 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.390000000000001 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.309999999999999 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.289999999999999 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.879999999999999 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.170000000000002 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' LYS . . . . . 0.471 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.209999999999994 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.859999999999999 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.300000000000001 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.640000000000001 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.630000000000003 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.210000000000001 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.300000000000001 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.890000000000001 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.130000000000001 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.470000000000001 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.969999999999999 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 23.16 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.729999999999997 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.739999999999998 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.859999999999999 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' SER . . . . . . . . . . . . . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 16.199999999999999 108.445 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.359999999999999 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.870000000000001 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.189999999999998 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.630000000000001 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.720000000000001 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.899999999999999 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.159999999999997 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.029999999999999 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD13 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.170000000000002 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.229999999999997 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.359999999999999 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.699999999999999 109.042 -167.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.629999999999999 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.629999999999999 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.489999999999998 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.260000000000002 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.100000000000001 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.609999999999999 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.460000000000001 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.130000000000001 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.490000000000002 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.350000000000001 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.939999999999998 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.260000000000002 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.769999999999996 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.299999999999997 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1011 ' ' ILE . . . . . 0.403 HD11 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.450000000000003 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1012 ' ' LEU . . . . . 0.403 ' HA ' HD21 ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.729999999999997 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.479999999999997 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1014 ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.710000000000001 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.109999999999999 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.700000000000003 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.050000000000001 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.100000000000001 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.170000000000002 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.280000000000001 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.719999999999999 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.559999999999999 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.489999999999998 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.670000000000002 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.869999999999997 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.259999999999998 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.140000000000001 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.840000000000003 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.109999999999999 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.240000000000002 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.920000000000002 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.079999999999998 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.890000000000001 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1037 ' ' MET . . . . . 0.551 ' HE2' HD11 ' B' 1087 ' ' LEU . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.120000000000001 116.245 172.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.799999999999997 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.149999999999999 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.850000000000001 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1041 ' ' LEU . . . . . 0.495 HD13 ' HH ' ' B' 1094 ' ' TYR . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.609999999999999 111.078 -172.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1042 ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.989999999999995 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1043 ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1044 ' ' LEU . . . . . 0.637 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.030000000000001 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.460000000000001 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.729999999999997 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.569999999999993 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1048 ' ' MET . . . . . 0.434 ' HE1' ' HB3' ' B' 1048 ' ' MET . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.239999999999995 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1050 ' ' ARG . . . . . 0.55 ' HB3' HH11 ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.210000000000001 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1052 ' ' PRO . . . . . 0.462 ' HB2' ' HG1' ' B' 1058 ' ' THR . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.630000000000003 111.807 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.620000000000005 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.060000000000002 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.700000000000003 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.359999999999999 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.390000000000001 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1058 ' ' THR . . . . . 0.462 ' HG1' ' HB2' ' B' 1052 ' ' PRO . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.100000000000001 109.337 -174.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.159999999999997 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1060 ' ' PHE . . . . . 0.452 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.859999999999999 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.090000000000003 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.079999999999998 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.109999999999999 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.309999999999999 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.510000000000005 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.939999999999998 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.059999999999999 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1069 ' ' MET . . . . . 0.458 ' HE1' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.840000000000003 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.340000000000003 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.039999999999999 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.099999999999994 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.280000000000001 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1075 ' ' CYS . . . . . 0.581 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.280000000000001 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.729999999999997 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.230000000000004 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1078 ' ' TYR . . . . . 0.441 ' HA ' ' HG ' ' B' 1081 ' ' SER . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.960000000000001 113.83 176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1079 ' ' MET . . . . . 0.581 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.799999999999997 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.069999999999993 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1081 ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' B' 1078 ' ' TYR . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.740000000000002 115.417 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.199999999999999 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.399999999999999 109.709 -176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.780000000000001 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B 1085 ' ' LYS . . . . . 0.559 ' NZ ' HG22 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.609999999999999 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.579999999999998 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1087 ' ' LEU . . . . . 0.551 HD11 ' HE2' ' B' 1037 ' ' MET . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1088 ' ' THR . . . . . 0.559 HG22 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.020000000000003 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.100000000000001 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.530000000000001 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.520000000000003 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.539999999999999 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.940000000000001 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1094 ' ' TYR . . . . . 0.495 ' HH ' HD13 ' B' 1041 ' ' LEU . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.149999999999999 111.196 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.379999999999999 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1096 ' ' HIS . . . . . 0.704 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.6 t60 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.509999999999998 107.847 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.780000000000001 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.260000000000002 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.219999999999999 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1100 ' ' ARG . . . . . 0.704 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.150000000000006 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1101 ' ' ILE . . . . . 0.423 HD11 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.119999999999997 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.240000000000002 111.659 -172.207 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.11 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.87 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.89 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.66 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.55 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.67 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.85 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.67 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.27 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.03 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.66 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.06 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 28.49 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.54 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.17 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.72 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.36 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.55 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.26 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.95 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.56 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.74 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.7 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.47 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.09 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.97 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.26 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.31 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.07 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.14 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.19 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.77 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.53 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.18 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.99 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.39 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.31 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.88 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.17 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.21 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.86 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.3 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.64 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.63 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.21 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.89 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.13 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.47 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.97 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 19.71 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.73 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.86 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 15.98 108.446 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.36 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.87 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.19 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.63 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.72 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.9 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.16 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.03 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 988' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.23 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.7 109.043 -167.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.63 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.63 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.49 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.1 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.61 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.46 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.13 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.49 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.35 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.26 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.77 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.3 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.45 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.73 108.714 -172.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.48 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.71 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.11 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.7 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.05 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.1 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.17 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.28 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.72 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.56 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.49 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.67 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.87 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.26 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.14 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.84 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.11 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.24 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.92 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.08 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.89 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.12 116.348 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.8 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.15 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.85 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.61 111.185 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.99 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.03 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.46 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.57 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.429 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.24 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.21 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.63 111.837 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.62 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.06 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.7 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.36 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.39 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.1 109.409 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.16 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.86 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.09 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.08 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.11 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.31 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.94 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.06 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.84 109.177 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.34 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.04 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.1 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.28 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.28 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.73 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.23 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.96 113.766 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.8 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.07 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.74 115.452 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.2 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.4 109.693 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.78 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.61 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.58 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.02 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.1 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.53 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.52 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.54 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.94 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.15 111.122 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.38 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.51 107.862 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.78 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.26 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.22 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.651 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.15 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.12 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.24 111.683 -172.137 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.719 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.87 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.89 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.66 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.55 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.85 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.67 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.27 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.03 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.554 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.66 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.06 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 28.49 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.54 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.17 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.72 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.36 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.55 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.26 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.56 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.74 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.7 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.47 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.09 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.97 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.26 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.31 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.07 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.14 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.19 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.77 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.53 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.18 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.99 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.447 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.31 106.541 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.29 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.88 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.17 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.21 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.86 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.3 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.64 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.21 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.3 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.89 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.13 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.47 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.97 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.73 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.74 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.86 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.719 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 15.98 108.445 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.36 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.87 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.19 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.63 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.9 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.16 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.03 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.17 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.23 114.891 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.36 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.7 109.059 -167.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.63 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.63 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.49 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.26 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.1 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.61 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.46 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.13 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.49 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.35 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.26 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.77 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.45 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.48 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.71 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.11 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.05 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.1 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.17 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.28 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.72 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.56 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.49 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.67 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.87 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.26 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.14 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.84 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.11 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.24 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.92 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.08 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.89 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.12 116.239 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.8 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.15 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.85 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.61 111.181 -172.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.99 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.03 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.46 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.73 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.57 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.24 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.21 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.63 111.867 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.62 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.06 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.7 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.36 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.39 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.1 109.36 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.16 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.86 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.08 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.11 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.31 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.51 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.94 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.06 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.84 109.204 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.34 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.04 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.1 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.28 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.568 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.28 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.73 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.23 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.96 113.724 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.8 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.07 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.74 115.379 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.2 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.666 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.78 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.558 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.61 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.58 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.558 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.02 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.1 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.53 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.52 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.54 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.94 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.15 111.134 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.38 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.51 107.969 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.78 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.26 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.447 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.65 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.15 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.12 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.24 111.668 -172.255 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.11 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.87 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.89 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.66 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.55 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.67 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.85 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.67 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.27 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.03 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.66 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 28.49 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.54 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.17 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.72 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.36 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.55 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.26 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.56 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.74 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.7 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.47 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.97 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.26 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.31 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.07 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.14 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.19 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.77 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.53 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.18 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.99 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.39 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.46 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.31 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.29 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.88 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.17 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.21 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.86 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.3 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.64 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.63 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.21 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.3 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.89 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.13 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.47 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.97 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 19.71 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.73 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.74 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.86 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 15.98 108.515 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.36 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.87 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.19 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.63 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.72 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.16 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.03 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.17 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.23 114.839 -170.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.36 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.7 109.046 -167.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.63 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.63 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.49 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.26 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.1 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.61 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.46 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.13 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.49 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.35 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.94 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.26 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.77 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.3 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.45 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.76 -172.577 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.48 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.71 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.11 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.7 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.05 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.1 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.17 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.28 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.72 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.56 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.49 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.67 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.87 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.26 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.14 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.84 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.11 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.24 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.92 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.08 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.89 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.12 116.256 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.8 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.15 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.85 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.61 111.179 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.99 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.03 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.46 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.73 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.57 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.24 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.21 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.63 111.823 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.62 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.06 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.7 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.36 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.39 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.1 109.401 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.86 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.09 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.08 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.11 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.31 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.51 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.94 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.06 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.84 109.221 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.34 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.04 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.1 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.73 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.23 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.96 113.901 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.8 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.07 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.74 115.401 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.2 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.4 109.666 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.78 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.61 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.58 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.02 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.1 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.53 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.52 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.54 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.94 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.15 111.144 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.38 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.51 107.948 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.78 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.26 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.22 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.65 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.15 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.12 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.24 111.66 -172.217 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.87 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.89 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.66 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.55 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.67 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.67 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.27 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.03 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.66 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.06 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 28.49 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.54 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.17 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.72 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.36 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.55 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.26 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.56 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.74 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.7 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.47 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.97 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.26 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.31 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.07 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.14 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.19 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.77 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.53 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.18 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.99 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.31 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.29 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.88 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.17 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.21 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.86 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.3 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.64 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.63 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.21 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.3 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.89 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.13 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.47 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.97 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.73 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.74 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.86 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 15.98 108.427 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.36 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.87 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.19 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.63 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.72 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.9 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.16 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.03 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.17 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.23 114.883 -170.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.36 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.7 109.07 -167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.63 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.63 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.49 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.26 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.1 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.61 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.46 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.13 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.49 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.35 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.94 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.77 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.73 108.648 -172.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.48 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.71 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.11 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.7 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.05 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.1 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.17 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.28 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.72 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.56 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.49 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.67 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.87 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.26 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.14 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.84 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.11 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.24 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.92 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.08 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.89 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.12 116.297 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.15 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.85 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.61 111.162 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.99 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.03 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.46 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.73 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.57 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.24 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.21 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.63 111.833 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.62 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.06 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.7 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.36 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.39 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.1 109.346 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.16 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.86 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.09 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.08 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.11 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.31 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.51 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.94 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.06 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.84 109.209 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.34 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.04 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.1 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.28 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.566 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.28 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.73 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.23 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.96 113.892 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.566 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.8 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.07 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.74 115.385 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.2 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.4 109.73 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.78 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.61 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.58 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.02 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.1 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.53 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.52 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.54 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.94 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.15 111.092 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.38 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.51 107.973 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.78 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.26 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.22 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.15 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.12 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.24 111.73 -172.266 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.11 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.87 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.89 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.66 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.55 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.67 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.67 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.27 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.66 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.06 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 28.49 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.54 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.17 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.72 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.36 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.55 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.26 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.95 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.56 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.74 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.7 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.47 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.09 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.97 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.26 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.07 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.14 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.19 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.77 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.53 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.18 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.99 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.39 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.31 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.29 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.88 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.17 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.21 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.86 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.3 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.64 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.63 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.21 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.3 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.89 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.13 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.47 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.97 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.73 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.74 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.86 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 15.98 108.411 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.36 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.87 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.19 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.63 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.72 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.9 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.16 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.03 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.17 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.23 114.865 -170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.36 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.7 109.051 -167.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.63 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.63 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.49 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.26 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.1 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.13 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.49 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.35 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.94 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.26 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.77 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.3 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.45 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.73 108.729 -172.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.48 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.71 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.11 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.7 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.1 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.17 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.28 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.72 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.56 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.49 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.67 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.87 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.26 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.14 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.84 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.11 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.24 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.92 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.08 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.89 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.12 116.258 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.8 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.15 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.85 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.61 111.204 -172.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.99 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.03 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.46 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.73 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.57 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.24 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.21 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.63 111.771 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.62 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.06 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.7 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.36 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.39 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.1 109.356 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.16 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.86 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.09 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.08 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.11 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.31 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.51 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.94 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.06 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.84 109.288 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.04 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.1 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.28 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.28 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.73 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.23 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.96 113.896 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.8 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.07 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.74 115.416 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.2 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.4 109.732 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.78 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.61 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.58 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.02 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.1 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.53 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.52 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.54 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.94 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.15 111.155 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.38 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.51 107.925 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.78 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.26 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.22 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.15 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.12 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.24 111.712 -172.272 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.11 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.87 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.89 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.66 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.55 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.67 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.67 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.27 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.66 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.06 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 28.49 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.54 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.17 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.72 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.36 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.55 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.26 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.95 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.56 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.74 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.7 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.47 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.09 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.26 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.07 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.14 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.19 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.77 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.53 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.18 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.99 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.39 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.31 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.17 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.21 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.86 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.3 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.64 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.63 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.21 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.89 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.13 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.47 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.97 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 19.71 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.73 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.74 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.86 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 15.98 108.393 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.36 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.87 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.19 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.63 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.72 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.9 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.16 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.03 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.17 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.23 114.882 -170.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.7 109.049 -167.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.63 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.63 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.49 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.26 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.1 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.46 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.13 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.35 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.94 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.26 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.77 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.45 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.73 108.832 -172.648 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.48 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.71 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.11 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.7 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.05 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.1 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.17 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.28 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.72 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.56 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.49 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.67 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.87 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.26 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.14 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.84 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.11 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.24 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.92 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.08 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.12 116.212 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.8 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.15 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.85 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.61 111.161 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.99 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.03 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.46 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.73 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.57 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.24 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.21 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.63 111.882 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.62 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.06 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.7 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.36 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.39 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.1 109.429 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.16 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.86 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.09 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.08 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.11 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.31 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.51 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.94 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.06 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.84 109.225 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.34 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.04 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.1 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.28 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.28 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.73 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.23 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.96 113.765 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.8 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.07 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.74 115.46 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.2 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.4 109.576 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.78 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.61 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.58 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.02 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.1 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.53 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.52 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.54 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.94 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.15 111.127 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.38 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.51 107.903 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.78 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.26 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.22 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.15 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.12 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.24 111.676 -172.203 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.11 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.87 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.89 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.66 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.55 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.67 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.85 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.67 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.27 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.03 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.66 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 28.49 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.54 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.17 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.72 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.36 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.55 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.26 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.95 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.56 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.74 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.7 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.47 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.97 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.26 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.07 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.19 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.77 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.53 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.18 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.99 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.39 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.31 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.29 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.21 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.86 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.3 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.64 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.63 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.21 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.89 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.13 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.47 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.97 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 19.71 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.73 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.74 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.86 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 15.98 108.414 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.36 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.87 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.19 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.63 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.72 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.9 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.16 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.03 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.17 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.23 114.869 -170.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.36 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.7 109.049 -167.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.63 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.63 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.49 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.26 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.1 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.46 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.13 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.49 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.35 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.94 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.26 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.77 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.45 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.73 108.828 -172.602 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.48 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.71 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.11 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.7 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.1 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.17 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.28 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.72 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.56 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.49 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.67 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.87 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.14 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.84 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.11 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.24 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.92 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.89 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.12 116.318 172.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.8 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.15 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.85 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.61 111.146 -172.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.99 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.03 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.46 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.57 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.24 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.21 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.63 111.89 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.62 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.06 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.7 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.36 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.39 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.1 109.374 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.16 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.86 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.09 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.08 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.11 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.31 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.51 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.94 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.06 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.84 109.24 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.34 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.04 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.1 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.28 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.28 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.73 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.23 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.96 113.851 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.8 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.07 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.74 115.4 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.2 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.4 109.626 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.78 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.61 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.58 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.02 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.1 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.53 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.52 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.54 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.94 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.15 111.133 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.38 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.51 107.898 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.78 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.26 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.22 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.15 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.12 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.24 111.717 -172.285 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.87 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.89 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.66 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.55 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.67 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.67 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.27 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.03 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.66 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 28.49 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.54 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.17 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.72 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.36 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.55 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.26 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.95 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.56 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.74 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.7 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.09 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.97 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.26 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.31 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.07 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.19 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.77 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.53 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.18 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.99 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.39 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.461 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.31 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.29 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.17 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.21 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.86 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.3 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.64 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.63 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.21 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.3 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.89 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.13 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.97 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 19.71 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.73 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.86 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 15.98 108.398 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.36 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.87 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.19 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.63 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.72 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.9 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.16 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.03 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.17 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.23 114.87 -170.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.36 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.7 109.071 -167.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.63 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.63 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.49 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.26 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.1 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.61 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.46 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.13 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.49 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.35 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.94 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.26 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.77 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.3 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.45 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.73 108.736 -172.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.48 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.71 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.11 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.7 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.05 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.1 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.28 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.72 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.56 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.49 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.67 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.87 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.26 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.14 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.84 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.11 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.24 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.92 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.89 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.12 116.371 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.8 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.15 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.85 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.61 111.214 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.99 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.03 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.46 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.73 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.57 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.24 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.21 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.63 111.808 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.62 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.06 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.7 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.36 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.39 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.1 109.359 -174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.16 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.86 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.09 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.08 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.11 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.31 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.51 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.94 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.06 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.84 109.214 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.34 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.04 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.1 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.28 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.28 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.73 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.23 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.96 113.793 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.8 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.07 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.74 115.453 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.2 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.646 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.78 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.61 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.58 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.02 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.1 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.53 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.52 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.54 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.94 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.15 111.053 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.38 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.51 107.904 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.78 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.26 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.461 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.22 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.15 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.12 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.24 111.69 -172.312 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.87 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.89 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.66 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.55 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.67 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.27 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.03 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.66 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.06 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 28.49 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.54 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.17 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.72 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.36 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.55 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.26 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.95 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.56 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.74 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.7 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.09 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.97 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.26 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.07 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.14 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.19 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.77 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.53 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.18 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.99 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.39 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.31 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.29 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.88 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.17 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.21 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.86 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.3 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.63 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.21 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.3 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.89 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.13 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.97 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.73 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.86 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 15.98 108.389 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.36 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.87 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.19 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.72 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.16 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.03 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.17 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.23 114.888 -170.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.7 109.064 -167.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.63 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.63 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.49 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.1 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.61 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.13 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.49 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.35 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.94 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.26 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.77 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.3 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.73 108.715 -172.6 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.48 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.71 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.11 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.7 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.05 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.1 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.17 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.28 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.72 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.56 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.49 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.67 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.87 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.26 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.14 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.84 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.24 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.92 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.08 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.89 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.12 116.201 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.15 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.85 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.61 111.193 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.99 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.03 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.46 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.73 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.57 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.24 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.21 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.63 111.882 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.62 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.06 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.7 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.36 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.39 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.1 109.357 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.16 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.86 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.08 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.11 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.31 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.51 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.94 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.06 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.84 109.265 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.34 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.04 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.1 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.28 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.28 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.73 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.23 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.96 113.846 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.8 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.07 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.74 115.417 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.2 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.4 109.636 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.78 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.61 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.58 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.02 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.1 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.53 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.52 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.54 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.15 111.194 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.38 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.906 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.78 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.26 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.22 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.15 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.12 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.24 111.707 -172.259 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.11 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.87 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.89 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.66 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.67 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.85 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.67 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.27 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.03 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.66 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.06 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 28.49 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.54 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.72 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.55 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.26 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.74 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.7 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.26 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.31 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.07 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.14 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.19 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.53 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.18 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.99 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.454 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.31 106.465 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.88 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.17 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.21 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.86 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.3 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.64 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.21 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.3 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.89 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.13 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.47 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.97 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 19.71 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.73 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.74 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.86 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 15.98 108.452 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.36 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.87 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.19 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.63 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.72 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.9 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.16 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.03 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.17 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.36 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.7 109.054 -167.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.63 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.63 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.49 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.26 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.1 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.61 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.46 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.13 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.49 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.94 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.26 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.77 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.3 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.45 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.73 108.734 -172.542 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.48 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.71 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.11 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.7 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.05 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.1 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.17 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.28 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.72 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.56 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.67 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.87 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.26 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.14 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.84 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.11 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.24 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.92 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.08 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.89 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.12 116.263 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.15 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.85 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.61 111.185 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.99 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.03 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.46 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.73 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.24 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.21 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.63 111.851 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.62 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.06 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.7 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.36 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.39 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.1 109.386 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.16 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.86 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.09 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.08 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.11 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.31 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.51 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.94 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.06 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.84 109.189 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.34 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.04 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.1 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.28 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.28 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.73 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.23 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.96 113.794 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.8 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.07 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.74 115.367 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.2 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.4 109.6 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.78 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.61 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.1 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.53 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.52 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.54 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.94 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.15 111.19 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.38 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.901 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.78 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.26 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.22 109.319 176.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.15 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.12 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.24 111.688 -172.238 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.11 109.235 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.87 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.89 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.66 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.55 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.67 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.85 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.67 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.27 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.03 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.66 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 28.49 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.54 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.17 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.72 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.36 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.55 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.26 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.95 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.56 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.7 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.09 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.97 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.26 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.07 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.14 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.19 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.77 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.53 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.18 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.99 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.443 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.31 106.527 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.29 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.88 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.21 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.3 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.64 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.63 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.21 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.3 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.89 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.13 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.47 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.97 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 19.71 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.73 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.74 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.86 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 15.98 108.461 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.36 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.87 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.19 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.63 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.9 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.16 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.03 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.17 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.23 114.891 -170.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.36 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.7 109.036 -167.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.63 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.63 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.49 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.26 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.1 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.46 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.13 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.35 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.94 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.26 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.77 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.73 108.75 -172.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.48 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.71 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.11 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.7 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.05 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.1 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.17 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.28 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.72 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.56 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.49 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.67 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.87 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.26 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.14 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.84 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.11 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.24 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.92 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.08 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.89 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.12 116.279 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.15 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.85 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.61 111.154 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.99 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.03 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.46 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.73 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.57 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.24 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.21 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.63 111.815 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.62 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.06 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.7 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.36 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.39 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.1 109.507 -174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.86 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.09 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.11 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.31 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.51 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.94 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.06 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.84 109.291 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.04 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.1 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.28 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.28 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.73 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.23 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.96 113.795 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.8 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.07 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.74 115.442 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.2 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.4 109.653 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.78 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.61 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.58 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.02 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.1 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.53 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.52 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.54 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.94 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.15 111.22 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.38 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.2 t-80 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.51 107.943 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.78 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.26 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.22 109.323 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.15 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.12 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.24 111.691 -172.196 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.11 109.251 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.87 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.89 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.66 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.67 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.85 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.67 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.27 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.03 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.66 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 28.49 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.54 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.72 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.55 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.74 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.7 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.09 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.97 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.26 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.31 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.07 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.14 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.19 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.77 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.53 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.18 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.99 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.448 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.31 106.516 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.29 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.88 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.17 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.21 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.86 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.3 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.64 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.21 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.3 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.89 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.13 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.47 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.97 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 19.71 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.73 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.74 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.86 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 15.98 108.466 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.36 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.87 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.19 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.63 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.72 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.9 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.16 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.03 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.5 t-80 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.17 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.36 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.7 109.006 -167.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.63 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.63 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.49 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.26 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.1 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.46 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.13 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.49 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.94 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.26 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.77 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.3 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' 1012 ' ' LEU 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.73 108.746 -172.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.48 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.71 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.11 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.7 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.05 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.1 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.17 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.28 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.72 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.56 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.49 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.67 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.87 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.26 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.14 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.84 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.11 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.24 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.92 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.08 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.89 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.12 116.2 172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.8 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.15 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.85 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.61 111.144 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.99 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.03 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.73 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.57 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.24 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.21 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.63 111.857 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.62 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.06 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.7 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.36 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.39 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.1 109.465 -174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.16 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.86 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.08 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.11 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.31 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.51 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.94 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.06 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.84 109.112 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.34 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.04 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.1 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.28 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.28 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.73 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.23 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.96 113.832 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.8 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.07 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.74 115.396 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.2 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.682 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.78 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.61 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.58 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.02 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.1 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.53 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.52 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.54 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.94 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.15 111.175 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.38 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.51 107.9 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.78 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.26 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.448 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.22 109.384 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.15 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.12 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.24 111.741 -172.289 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.11 109.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.87 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.89 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.66 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.55 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.85 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.67 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.27 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.03 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.66 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.06 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 28.49 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.54 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.17 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.72 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.36 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.55 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.95 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.56 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.7 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.47 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.09 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.97 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.26 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.31 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.07 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.14 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.19 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.77 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.53 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.18 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.99 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.45 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.31 106.489 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.88 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.17 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.21 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.86 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.3 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.64 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.63 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.21 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.3 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.89 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.13 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.47 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.97 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 19.71 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.73 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.74 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.86 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 15.98 108.468 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.36 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.87 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.19 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.63 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.72 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.9 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.16 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.03 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.17 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.23 114.9 -170.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.7 109.093 -167.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.63 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.63 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.49 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.26 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.1 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.61 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.46 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.13 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.49 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.35 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.26 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.77 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.45 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.708 -172.583 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.48 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.71 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.11 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.7 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.05 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.1 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.17 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.28 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.72 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.56 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.49 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.67 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.87 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.26 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.14 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.84 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.11 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.24 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.92 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.89 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.12 116.257 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.8 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.15 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.85 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.61 111.172 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.99 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.03 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.46 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.73 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.57 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.24 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.21 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.63 111.835 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.62 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.06 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.7 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.36 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.39 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.1 109.397 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.16 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.86 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.09 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.08 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.11 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.31 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.51 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.94 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.06 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.84 109.16 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.34 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.04 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.1 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.28 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.562 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.28 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.73 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.23 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.96 113.749 176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.8 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.07 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.74 115.455 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.2 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.4 109.65 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.78 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.61 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.58 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.1 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.53 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.52 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.54 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.94 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.15 111.143 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.38 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.51 107.897 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.78 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.26 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.45 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.22 109.394 176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.15 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.12 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.24 111.71 -172.276 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.11 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.87 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.89 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.66 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.55 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.67 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.27 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.03 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.66 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.06 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 28.49 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.54 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.17 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.72 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.36 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.55 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.26 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.95 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.56 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.74 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.7 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.47 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.09 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.97 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.26 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.31 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.07 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.14 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.19 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.53 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.18 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.99 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.39 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.31 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.29 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.88 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.17 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.21 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.86 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.3 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.64 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.63 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.21 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.3 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.89 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.13 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.47 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.97 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 19.71 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.73 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.86 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 15.98 108.464 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.36 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.87 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.19 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.63 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.9 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.16 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.03 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.17 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.23 114.876 -170.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.36 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.7 109.056 -167.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.63 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.63 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.49 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.1 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.61 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.46 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.13 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.35 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.26 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.77 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.45 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.73 108.799 -172.676 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.48 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.71 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.11 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.05 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.1 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.17 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.28 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.72 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.56 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.67 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.87 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.26 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.14 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.84 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.11 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.24 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.92 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.08 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.89 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.12 116.332 172.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.8 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.15 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.85 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.61 111.173 -172.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.99 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.03 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.73 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.57 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.24 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.21 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.63 111.904 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.62 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.06 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.7 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.36 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.39 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.1 109.398 -174.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.16 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.86 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.09 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.08 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.11 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.31 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.51 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.94 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.06 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.84 109.198 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.34 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.04 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.1 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.28 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.73 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.23 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.96 113.887 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.8 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.07 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.74 115.415 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.2 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.4 109.643 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.78 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.61 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.58 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.02 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.1 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.53 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.52 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.54 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.15 111.102 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.38 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.254 13.3 t-80 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.51 107.881 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.78 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.26 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.22 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.15 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.12 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.24 111.746 -172.255 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.11 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.87 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.89 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.66 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.55 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.67 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.85 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.67 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.27 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.03 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.553 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.66 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.06 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 28.49 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.54 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.17 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.72 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.36 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.55 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.26 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.95 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.56 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.74 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.7 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.47 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.26 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.07 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.14 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.19 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.77 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.53 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.18 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.99 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.31 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.29 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.88 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.17 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.21 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.86 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.3 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.64 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.63 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.21 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.3 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.89 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.13 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.47 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.97 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 19.71 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.73 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.74 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.86 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 15.98 108.468 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.36 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.87 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.19 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.63 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.72 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.9 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.16 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.03 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.17 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.23 114.898 -170.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.36 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.7 109.075 -167.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.63 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.63 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.49 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.26 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.1 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.61 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.46 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.13 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.35 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.94 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.26 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.77 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.45 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.73 108.762 -172.614 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.48 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.71 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.11 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.7 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.05 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.1 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.17 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.28 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.72 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.49 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.67 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.87 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.26 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.14 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.84 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.11 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.24 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.92 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.08 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.89 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.12 116.338 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.8 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.15 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.85 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.61 111.273 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.99 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.03 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.46 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.73 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1048 ' ' MET . . . . . 0.434 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.24 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.21 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.63 111.82 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.62 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.06 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.7 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.36 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.39 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.1 109.424 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.16 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.86 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.08 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.11 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.31 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.51 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.94 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.06 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.84 109.249 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.34 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.04 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.1 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.28 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.73 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.23 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.96 113.824 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.8 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.07 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.74 115.436 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.2 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.4 109.693 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.78 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.61 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.58 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.02 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.1 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.53 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.52 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.54 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.15 111.197 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.38 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.51 107.909 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.78 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.26 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.15 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.12 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.24 111.641 -172.197 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.89 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.66 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.55 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.67 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.27 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.03 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.66 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 28.49 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.54 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.17 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.72 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.36 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.55 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.26 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.95 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.56 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.74 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.7 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.47 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.09 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.97 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.26 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.07 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.14 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.19 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.77 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.53 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.18 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.99 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.39 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.31 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.29 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.88 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.17 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.21 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.3 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.63 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.21 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.3 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.89 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.13 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.47 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.97 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.73 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.74 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.86 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.708 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 15.98 108.418 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.36 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.87 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.19 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.63 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.72 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.9 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.16 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.03 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.17 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.23 114.873 -170.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.7 109.031 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.63 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.63 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.49 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.26 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.1 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.61 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.46 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.13 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.49 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.35 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.94 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.26 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.77 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.3 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.45 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' 1012 ' ' LEU 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.697 -172.481 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.48 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.71 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.11 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.7 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.1 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.17 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.28 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.72 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.49 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.67 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.87 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.26 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.14 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.84 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.24 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.92 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.08 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.89 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.12 116.339 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.8 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.692 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.15 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.85 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.61 111.194 -172.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.99 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.03 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.73 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.57 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.24 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.21 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.63 111.811 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.62 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.06 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.7 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.36 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.39 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.1 109.375 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.16 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.86 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.09 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.08 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.11 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.31 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.94 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.06 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.84 109.256 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.04 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.1 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.28 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.28 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.73 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.23 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.96 113.892 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.8 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.07 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.74 115.447 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.2 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.4 109.764 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.78 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.61 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.02 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.1 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.53 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.52 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.54 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.94 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.15 111.194 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.38 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.4 t-80 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.51 107.871 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.78 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.26 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.22 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.15 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1101 ' ' ILE . . . . . 0.401 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.12 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.24 111.716 -172.242 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.709 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.89 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.66 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.55 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.67 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.67 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.27 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.03 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.66 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.06 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 28.49 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.54 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.17 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.72 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.36 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.55 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.26 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.95 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.56 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.74 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.7 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.47 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.09 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.97 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.26 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.31 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.07 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.14 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.19 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.77 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.53 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.18 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.99 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.31 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.29 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.88 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.17 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.21 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.86 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.3 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.64 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.63 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.21 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.3 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.89 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.13 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.47 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.97 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.73 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.74 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.86 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.709 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 15.98 108.444 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.36 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.87 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.19 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.63 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.72 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.9 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.16 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.03 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.7 t-80 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.23 114.905 -170.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.36 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.7 109.055 -167.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.63 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.63 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.49 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.26 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.1 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.61 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.46 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.13 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.35 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.94 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.26 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.77 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.45 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.734 -172.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.48 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.71 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.11 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.7 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.05 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.1 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.28 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.72 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.56 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.49 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.67 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.87 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.26 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.14 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.84 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.11 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.24 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.92 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.693 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.08 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.89 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.12 116.246 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.8 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.15 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.85 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.61 111.124 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.99 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.03 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.46 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.73 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.57 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.24 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.498 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.21 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.63 111.874 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.62 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.06 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.7 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.36 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.39 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.1 109.442 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.16 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.86 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.09 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.11 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.31 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.51 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.94 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.06 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.84 109.216 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.34 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.04 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.1 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.28 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.559 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.28 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.73 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.23 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.96 113.898 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.559 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.8 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.07 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.74 115.396 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.2 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.4 109.652 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.78 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.61 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.58 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.02 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.1 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.53 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.52 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.54 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.94 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.15 111.225 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.38 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.3 t-80 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.874 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.78 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.26 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.22 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.15 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1101 ' ' ILE . . . . . 0.403 HD13 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.12 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.24 111.714 -172.266 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.693 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.11 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.87 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.89 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.66 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.55 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.67 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.85 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.67 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.27 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.03 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.66 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.06 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 28.49 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.54 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.17 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.72 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.36 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.55 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.26 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.95 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.56 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.74 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.7 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.09 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.97 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.26 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.31 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.07 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.14 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.19 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.77 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.53 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.18 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.99 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.39 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.438 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.31 106.523 178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.88 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.17 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.21 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.86 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.3 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.64 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.3 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.89 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.13 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.47 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.97 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.73 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.74 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.86 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.693 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 15.98 108.421 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.36 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.87 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.19 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.63 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.72 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.9 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.16 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.03 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.17 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.23 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.36 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.7 109.02 -167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.63 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.63 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.49 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.26 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.1 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.46 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.13 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.35 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.94 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.26 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.77 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.3 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.45 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.73 108.768 -172.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.48 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.71 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.11 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.7 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.05 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.1 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.17 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.28 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.72 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.56 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.49 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.67 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.87 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.26 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.14 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.84 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.11 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.24 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.92 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.08 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.89 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.12 116.306 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.8 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.15 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.85 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.61 111.281 -172.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.99 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.03 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.73 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.57 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.24 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.501 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.21 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.63 111.891 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.62 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.06 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.7 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.36 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.39 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.1 109.263 -174.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.16 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.86 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.09 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.08 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.11 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.31 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.51 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.94 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.06 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.84 109.184 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.04 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.1 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.28 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.28 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.73 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.23 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.96 113.812 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.8 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.07 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.74 115.453 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.2 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.647 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.78 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.61 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.58 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.02 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.1 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.53 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.52 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.54 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.94 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.15 111.125 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.38 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.4 t-80 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.51 107.915 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.78 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.26 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.438 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.22 109.409 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.15 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1101 ' ' ILE . . . . . 0.4 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.12 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.24 111.68 -172.194 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.11 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.87 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.89 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.66 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.55 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.67 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.67 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.27 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.03 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.561 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.66 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.06 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 28.49 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.54 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.17 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.72 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.36 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.55 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.26 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.95 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.56 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.74 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.7 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.47 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.09 108.349 160.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.26 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.07 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.14 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.19 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.77 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.53 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.18 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.99 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.426 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.31 106.513 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.17 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.21 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.86 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.3 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.64 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.63 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.21 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.3 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.89 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.13 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.47 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.97 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.73 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.74 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.86 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 15.98 108.404 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.36 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.87 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.63 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.72 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.9 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.16 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.03 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.17 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.23 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.36 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.7 109.089 -167.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.63 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.63 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.49 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.26 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.1 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.61 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.46 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.13 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.49 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.35 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.94 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.77 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.3 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1011 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.45 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.73 108.753 -172.578 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.48 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.71 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.11 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.7 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.05 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.1 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.17 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.28 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.72 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.56 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.49 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.67 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.87 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.26 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.14 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.84 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.11 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.24 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.92 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.702 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.08 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.12 116.287 172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.8 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.15 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.85 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.61 111.155 -172.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.99 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.03 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.46 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.73 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.57 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.24 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.21 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.63 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.62 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.06 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.7 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.36 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.39 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.1 109.452 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.16 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.86 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.09 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.08 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.11 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.31 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.51 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.94 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.06 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1069 ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.84 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.34 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.04 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.1 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.28 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.551 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.28 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.73 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.23 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.96 113.889 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.8 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.07 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.74 115.379 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.2 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.4 109.684 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.78 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.61 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.58 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.557 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.02 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.1 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.53 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.52 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.54 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.94 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.15 111.226 177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.38 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.2 t-80 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.51 107.888 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.78 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.26 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.426 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.22 109.365 176.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.15 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1101 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.12 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.24 111.666 -172.248 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 902' ' ' GLY . . . . . 0.692 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.11 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.87 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.89 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.66 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.55 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.67 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.67 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.27 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.03 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.66 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.06 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 28.49 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.54 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.17 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.72 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.36 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 927' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.55 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.26 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.56 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.74 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.7 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.47 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.09 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.97 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.26 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.31 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.07 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.14 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.19 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.77 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.53 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 945' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 946' ' ' PRO . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.18 108.129 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 946' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 945' ' ' LYS . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.99 107.791 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.39 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.31 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.29 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.88 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.17 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.21 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.86 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.3 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.64 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.63 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.3 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.89 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.13 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.47 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.97 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 19.71 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.73 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.74 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.86 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 978' ' ' SER . . . . . 0.692 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 15.98 108.445 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.36 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.87 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.72 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.9 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.16 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.03 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 988' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.5 t-80 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.17 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 989' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.23 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.36 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.7 109.042 -167.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.63 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.63 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.49 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.1 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.61 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.46 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1001 ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.13 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.49 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.35 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.94 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.26 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.77 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.3 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1011 ' ' ILE . . . . . 0.404 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.45 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1012 ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.73 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.48 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.71 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.11 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.7 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.05 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.1 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.17 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.28 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.72 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.56 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.49 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.67 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.87 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.14 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.84 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.11 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.24 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.92 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1035 ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.08 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.89 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.12 116.245 172.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.8 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1039 ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.15 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.85 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.61 111.078 -172.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1042 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.99 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1043 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.03 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.46 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.73 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.57 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.24 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1050 ' ' ARG . . . . . 0.503 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.21 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.63 111.807 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.62 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.06 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.7 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.36 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.39 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.1 109.337 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.16 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.86 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.09 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.08 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.11 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.31 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.51 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.94 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.06 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1069 ' ' MET . . . . . 0.437 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.84 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.34 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.04 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.1 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.28 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.28 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.73 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.23 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.96 113.83 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.8 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.07 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.74 115.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.2 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.4 109.709 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.78 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' B' B 1085 ' ' LYS . . . . . 0.56 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.61 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.58 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1088 ' ' THR . . . . . 0.56 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.02 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.1 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.53 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.52 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.54 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.15 111.196 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.38 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.3 t-80 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.847 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.78 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.26 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.22 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1100 ' ' ARG . . . . . 0.658 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.15 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1101 ' ' ILE . . . . . 0.422 HD13 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.12 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.24 111.659 -172.207 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.11 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.87 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.89 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.66 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.55 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.67 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.85 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.67 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.27 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.03 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.66 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.06 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 28.49 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.54 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.17 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.72 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.36 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.55 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.26 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.95 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.56 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.74 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.7 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.47 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.09 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.97 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.26 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.31 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.07 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.14 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.19 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.77 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.53 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.18 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.99 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.39 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.31 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.88 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.17 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.21 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.86 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.3 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.64 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.63 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.21 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.89 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.13 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.47 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.97 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 19.71 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.73 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.86 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 15.98 108.446 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.36 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.87 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.19 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.63 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.72 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.9 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.16 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.03 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 988' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.23 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.7 109.043 -167.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.63 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.63 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.49 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.1 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.61 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.46 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.13 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.49 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.35 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.26 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.77 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.3 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.45 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.73 108.714 -172.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.48 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.71 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.11 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.7 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.05 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.1 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.17 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.28 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.72 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.56 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.49 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.67 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.87 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.26 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.14 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.84 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.11 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.24 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.92 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.08 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.89 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.12 116.348 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.8 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.15 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.85 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.61 111.185 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.99 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.03 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.46 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.57 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.429 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.24 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.21 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.63 111.837 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.62 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.06 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.7 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.36 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.39 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.1 109.409 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.16 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.86 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.09 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.08 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.11 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.31 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.94 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.06 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.84 109.177 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.34 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.04 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.1 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.28 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.28 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.73 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.23 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.96 113.766 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.8 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.07 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.74 115.452 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.2 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.4 109.693 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.78 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.61 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.58 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.02 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.1 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.53 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.52 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.54 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.94 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.15 111.122 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.38 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.51 107.862 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.78 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.26 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.22 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.651 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.15 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.12 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.24 111.683 -172.137 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.719 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.87 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.89 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.66 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.55 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.85 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.67 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.27 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.03 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.554 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.66 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.06 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 28.49 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.54 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.17 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.72 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.36 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.55 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.26 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.56 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.74 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.7 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.47 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.09 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.97 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.26 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.31 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.07 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.14 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.19 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.77 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.53 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.18 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.99 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.447 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.31 106.541 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.29 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.88 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.17 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.21 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.86 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.3 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.64 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.21 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.3 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.89 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.13 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.47 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.97 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.73 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.74 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.86 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.719 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 15.98 108.445 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.36 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.87 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.19 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.63 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.9 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.16 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.03 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.17 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.23 114.891 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.36 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.7 109.059 -167.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.63 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.63 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.49 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.26 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.1 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.61 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.46 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.13 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.49 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.35 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.26 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.77 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.45 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.48 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.71 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.11 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.05 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.1 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.17 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.28 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.72 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.56 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.49 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.67 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.87 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.26 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.14 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.84 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.11 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.24 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.92 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.08 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.89 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.12 116.239 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.8 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.15 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.85 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.61 111.181 -172.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.99 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.03 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.46 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.73 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.57 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.24 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.21 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.63 111.867 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.62 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.06 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.7 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.36 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.39 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.1 109.36 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.16 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.86 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.08 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.11 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.31 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.51 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.94 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.06 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.84 109.204 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.34 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.04 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.1 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.28 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.568 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.28 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.73 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.23 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.96 113.724 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.8 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.07 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.74 115.379 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.2 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.666 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.78 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.558 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.61 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.58 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.558 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.02 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.1 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.53 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.52 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.54 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.94 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.15 111.134 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.38 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.51 107.969 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.78 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.26 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.447 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.65 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.15 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.12 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.24 111.668 -172.255 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.11 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.87 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.89 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.66 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.55 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.67 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.85 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.67 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.27 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.03 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.66 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 28.49 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.54 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.17 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.72 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.36 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.55 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.26 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.56 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.74 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.7 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.47 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.97 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.26 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.31 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.07 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.14 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.19 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.77 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.53 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.18 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.99 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.39 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.46 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.31 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.29 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.88 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.17 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.21 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.86 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.3 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.64 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.63 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.21 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.3 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.89 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.13 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.47 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.97 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 19.71 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.73 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.74 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.86 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 15.98 108.515 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.36 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.87 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.19 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.63 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.72 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.16 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.03 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.17 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.23 114.839 -170.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.36 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.7 109.046 -167.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.63 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.63 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.49 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.26 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.1 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.61 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.46 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.13 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.49 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.35 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.94 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.26 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.77 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.3 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.45 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.76 -172.577 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.48 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.71 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.11 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.7 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.05 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.1 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.17 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.28 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.72 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.56 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.49 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.67 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.87 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.26 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.14 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.84 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.11 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.24 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.92 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.08 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.89 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.12 116.256 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.8 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.15 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.85 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.61 111.179 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.99 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.03 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.46 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.73 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.57 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.24 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.21 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.63 111.823 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.62 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.06 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.7 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.36 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.39 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.1 109.401 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.86 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.09 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.08 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.11 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.31 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.51 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.94 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.06 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.84 109.221 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.34 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.04 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.1 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.73 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.23 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.96 113.901 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.8 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.07 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.74 115.401 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.2 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.4 109.666 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.78 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.61 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.58 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.02 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.1 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.53 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.52 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.54 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.94 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.15 111.144 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.38 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.51 107.948 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.78 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.26 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.22 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.65 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.15 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.12 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.24 111.66 -172.217 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.87 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.89 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.66 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.55 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.67 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.67 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.27 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.03 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.66 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.06 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 28.49 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.54 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.17 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.72 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.36 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.55 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.26 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.56 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.74 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.7 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.47 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.97 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.26 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.31 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.07 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.14 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.19 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.77 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.53 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.18 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.99 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.31 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.29 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.88 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.17 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.21 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.86 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.3 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.64 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.63 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.21 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.3 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.89 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.13 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.47 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.97 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.73 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.74 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.86 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 15.98 108.427 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.36 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.87 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.19 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.63 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.72 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.9 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.16 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.03 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.17 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.23 114.883 -170.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.36 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.7 109.07 -167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.63 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.63 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.49 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.26 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.1 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.61 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.46 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.13 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.49 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.35 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.94 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.77 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.73 108.648 -172.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.48 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.71 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.11 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.7 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.05 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.1 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.17 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.28 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.72 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.56 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.49 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.67 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.87 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.26 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.14 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.84 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.11 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.24 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.92 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.08 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.89 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.12 116.297 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.15 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.85 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.61 111.162 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.99 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.03 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.46 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.73 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.57 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.24 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.21 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.63 111.833 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.62 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.06 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.7 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.36 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.39 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.1 109.346 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.16 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.86 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.09 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.08 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.11 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.31 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.51 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.94 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.06 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.84 109.209 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.34 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.04 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.1 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.28 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.566 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.28 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.73 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.23 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.96 113.892 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.566 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.8 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.07 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.74 115.385 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.2 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.4 109.73 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.78 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.61 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.58 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.02 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.1 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.53 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.52 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.54 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.94 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.15 111.092 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.38 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.51 107.973 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.78 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.26 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.22 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.15 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.12 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.24 111.73 -172.266 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.11 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.87 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.89 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.66 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.55 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.67 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.67 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.27 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.66 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.06 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 28.49 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.54 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.17 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.72 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.36 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.55 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.26 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.95 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.56 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.74 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.7 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.47 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.09 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.97 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.26 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.07 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.14 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.19 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.77 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.53 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.18 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.99 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.39 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.31 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.29 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.88 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.17 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.21 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.86 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.3 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.64 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.63 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.21 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.3 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.89 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.13 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.47 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.97 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.73 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.74 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.86 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 15.98 108.411 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.36 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.87 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.19 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.63 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.72 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.9 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.16 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.03 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.44 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.17 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.23 114.865 -170.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.36 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.7 109.051 -167.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.63 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.63 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.49 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.26 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.1 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.13 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.49 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.35 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.94 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.26 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.77 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.3 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.45 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.73 108.729 -172.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.48 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.71 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.11 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.7 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.1 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.17 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.28 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.72 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.56 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.49 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.67 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.87 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.26 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.14 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.84 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.11 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.24 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.92 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.08 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.89 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.12 116.258 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.8 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.15 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.85 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.61 111.204 -172.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.99 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.03 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.46 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.73 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.57 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.24 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.21 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.63 111.771 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.62 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.06 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.7 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.36 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.39 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.1 109.356 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.16 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.86 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.09 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.08 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.11 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.31 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.51 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.94 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.06 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.84 109.288 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.04 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.1 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.28 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.28 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.73 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.23 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.96 113.896 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.8 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.07 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.74 115.416 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.2 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.4 109.732 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.78 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.61 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.58 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.02 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.1 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.53 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.52 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.54 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.94 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.15 111.155 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.38 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.51 107.925 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.78 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.26 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.22 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.15 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.12 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.24 111.712 -172.272 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.11 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.87 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.89 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.66 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.55 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.67 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.67 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.27 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.66 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.06 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 28.49 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.54 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.17 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.72 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.36 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.55 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.26 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.95 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.56 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.74 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.7 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.47 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.09 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.26 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.07 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.14 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.19 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.77 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.53 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.18 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.99 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.39 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.31 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.17 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.21 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.86 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.3 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.64 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.63 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.21 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.89 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.13 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.47 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.97 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 19.71 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.73 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.74 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.86 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 15.98 108.393 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.36 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.87 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.19 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.63 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.72 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.9 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.16 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.03 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.17 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.23 114.882 -170.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.7 109.049 -167.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.63 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.63 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.49 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.26 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.1 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.46 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.13 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.35 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.94 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.26 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.77 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.45 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.73 108.832 -172.648 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.48 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.71 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.11 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.7 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.05 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.1 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.17 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.28 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.72 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.56 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.49 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.67 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.87 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.26 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.14 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.84 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.11 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.24 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.92 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.08 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.12 116.212 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.8 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.15 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.85 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.61 111.161 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.99 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.03 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.46 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.73 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.57 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.24 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.21 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.63 111.882 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.62 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.06 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.7 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.36 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.39 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.1 109.429 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.16 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.86 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.09 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.08 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.11 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.31 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.51 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.94 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.06 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.84 109.225 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.34 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.04 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.1 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.28 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.28 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.73 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.23 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.96 113.765 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.8 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.07 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.74 115.46 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.2 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.4 109.576 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.78 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.61 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.58 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.02 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.1 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.53 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.52 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.54 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.94 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.15 111.127 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.38 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.51 107.903 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.78 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.26 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.22 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.15 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.12 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.24 111.676 -172.203 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.11 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.87 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.89 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.66 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.55 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.67 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.85 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.67 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.27 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.03 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.66 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 28.49 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.54 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.17 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.72 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.36 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.55 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.26 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.95 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.56 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.74 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.7 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.47 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.97 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.26 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.07 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.19 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.77 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.53 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.18 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.99 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.39 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.31 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.29 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.21 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.86 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.3 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.64 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.63 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.21 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.89 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.13 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.47 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.97 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 19.71 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.73 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.74 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.86 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 15.98 108.414 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.36 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.87 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.19 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.63 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.72 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.9 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.16 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.03 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.17 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.23 114.869 -170.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.36 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.7 109.049 -167.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.63 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.63 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.49 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.26 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.1 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.46 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.13 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.49 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.35 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.94 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.26 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.77 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.45 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.73 108.828 -172.602 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.48 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.71 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.11 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.7 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.1 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.17 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.28 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.72 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.56 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.49 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.67 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.87 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.14 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.84 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.11 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.24 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.92 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.89 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.12 116.318 172.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.8 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.15 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.85 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.61 111.146 -172.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.99 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.03 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.46 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.57 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.24 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.21 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.63 111.89 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.62 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.06 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.7 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.36 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.39 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.1 109.374 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.16 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.86 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.09 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.08 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.11 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.31 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.51 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.94 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.06 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.84 109.24 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.34 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.04 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.1 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.28 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.28 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.73 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.23 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.96 113.851 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.8 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.07 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.74 115.4 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.2 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.4 109.626 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.78 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.61 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.58 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.02 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.1 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.53 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.52 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.54 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.94 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.15 111.133 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.38 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.3 t-80 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.51 107.898 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.78 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.26 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.22 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.15 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.12 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.24 111.717 -172.285 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.87 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.89 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.66 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.55 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.67 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.67 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.27 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.03 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.66 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 28.49 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.54 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.17 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.72 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.36 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.55 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.26 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.95 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.56 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.74 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.7 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.09 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.97 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.26 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.31 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.07 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.19 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.77 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.53 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.18 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.99 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.39 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.461 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.31 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.29 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.17 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.21 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.86 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.3 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.64 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.63 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.21 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.3 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.89 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.13 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.97 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 19.71 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.73 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.86 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 15.98 108.398 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.36 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.87 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.19 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.63 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.72 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.9 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.16 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.03 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.17 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.23 114.87 -170.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.36 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.7 109.071 -167.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.63 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.63 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.49 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.26 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.1 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.61 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.46 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.13 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.49 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.35 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.94 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.26 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.77 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.3 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.45 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.73 108.736 -172.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.48 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.71 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.11 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.7 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.05 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.1 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.28 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.72 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.56 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.49 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.67 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.87 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.26 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.14 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.84 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.11 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.24 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.92 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.89 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.12 116.371 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.8 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.15 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.85 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.61 111.214 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.99 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.03 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.46 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.73 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.57 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.24 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.21 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.63 111.808 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.62 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.06 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.7 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.36 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.39 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.1 109.359 -174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.16 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.86 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.09 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.08 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.11 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.31 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.51 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.94 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.06 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.84 109.214 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.34 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.04 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.1 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.28 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.28 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.73 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.23 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.96 113.793 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.8 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.07 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.74 115.453 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.2 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.646 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.78 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.61 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.58 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.02 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.1 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.53 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.52 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.54 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.94 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.15 111.053 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.38 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.51 107.904 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.78 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.26 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.461 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.22 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.15 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.12 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.24 111.69 -172.312 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.87 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.89 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.66 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.55 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.67 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.27 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.03 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.66 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.06 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 28.49 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.54 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.17 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.72 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.36 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.55 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.26 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.95 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.56 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.74 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.7 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.09 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.97 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.26 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.07 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.14 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.19 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.77 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.53 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.18 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.99 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.39 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.31 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.29 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.88 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.17 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.21 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.86 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.3 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.63 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.21 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.3 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.89 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.13 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.97 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.73 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.86 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 15.98 108.389 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.36 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.87 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.19 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.72 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.16 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.03 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.17 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.23 114.888 -170.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.7 109.064 -167.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.63 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.63 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.49 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.1 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.61 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.13 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.49 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.35 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.94 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.26 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.77 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.3 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.73 108.715 -172.6 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.48 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.71 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.11 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.7 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.05 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.1 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.17 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.28 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.72 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.56 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.49 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.67 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.87 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.26 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.14 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.84 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.24 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.92 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.08 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.89 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.12 116.201 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.15 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.85 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.61 111.193 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.99 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.03 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.46 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.73 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.57 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.24 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.21 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.63 111.882 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.62 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.06 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.7 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.36 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.39 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.1 109.357 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.16 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.86 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.08 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.11 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.31 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.51 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.94 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.06 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.84 109.265 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.34 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.04 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.1 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.28 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.28 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.73 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.23 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.96 113.846 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.8 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.07 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.74 115.417 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.2 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.4 109.636 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.78 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.61 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.58 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.02 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.1 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.53 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.52 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.54 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.15 111.194 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.38 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.906 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.78 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.26 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.22 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.15 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.12 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.24 111.707 -172.259 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.11 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.87 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.89 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.66 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.67 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.85 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.67 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.27 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.03 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.66 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.06 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 28.49 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.54 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.72 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.55 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.26 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.74 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.7 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.26 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.31 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.07 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.14 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.19 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.53 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.18 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.99 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.454 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.31 106.465 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.88 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.17 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.21 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.86 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.3 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.64 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.21 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.3 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.89 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.13 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.47 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.97 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 19.71 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.73 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.74 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.86 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 15.98 108.452 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.36 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.87 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.19 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.63 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.72 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.9 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.16 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.03 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.17 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.36 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.7 109.054 -167.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.63 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.63 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.49 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.26 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.1 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.61 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.46 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.13 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.49 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.94 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.26 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.77 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.3 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.45 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.73 108.734 -172.542 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.48 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.71 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.11 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.7 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.05 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.1 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.17 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.28 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.72 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.56 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.67 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.87 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.26 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.14 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.84 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.11 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.24 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.92 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.08 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.89 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.12 116.263 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.15 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.85 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.61 111.185 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.99 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.03 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.46 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.73 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.24 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.21 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.63 111.851 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.62 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.06 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.7 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.36 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.39 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.1 109.386 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.16 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.86 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.09 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.08 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.11 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.31 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.51 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.94 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.06 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.84 109.189 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.34 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.04 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.1 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.28 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.28 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.73 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.23 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.96 113.794 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.8 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.07 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.74 115.367 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.2 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.4 109.6 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.78 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.61 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.1 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.53 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.52 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.54 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.94 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.15 111.19 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.38 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.901 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.78 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.26 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.22 109.319 176.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.15 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.12 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.24 111.688 -172.238 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.11 109.235 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.87 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.89 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.66 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.55 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.67 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.85 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.67 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.27 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.03 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.66 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 28.49 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.54 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.17 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.72 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.36 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.55 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.26 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.95 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.56 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.7 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.09 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.97 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.26 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.07 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.14 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.19 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.77 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.53 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.18 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.99 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.443 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.31 106.527 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.29 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.88 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.21 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.3 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.64 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.63 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.21 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.3 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.89 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.13 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.47 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.97 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 19.71 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.73 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.74 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.86 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 15.98 108.461 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.36 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.87 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.19 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.63 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.9 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.16 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.03 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.17 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.23 114.891 -170.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.36 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.7 109.036 -167.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.63 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.63 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.49 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.26 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.1 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.46 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.13 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.35 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.94 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.26 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.77 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.73 108.75 -172.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.48 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.71 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.11 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.7 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.05 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.1 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.17 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.28 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.72 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.56 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.49 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.67 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.87 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.26 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.14 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.84 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.11 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.24 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.92 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.08 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.89 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.12 116.279 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.15 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.85 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.61 111.154 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.99 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.03 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.46 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.73 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.57 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.24 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.21 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.63 111.815 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.62 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.06 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.7 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.36 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.39 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.1 109.507 -174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.86 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.09 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.11 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.31 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.51 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.94 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.06 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.84 109.291 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.04 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.1 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.28 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.28 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.73 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.23 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.96 113.795 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.8 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.07 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.74 115.442 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.2 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.4 109.653 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.78 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.61 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.58 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.02 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.1 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.53 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.52 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.54 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.94 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.15 111.22 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.38 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.2 t-80 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.51 107.943 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.78 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.26 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.22 109.323 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.15 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.12 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.24 111.691 -172.196 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.11 109.251 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.87 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.89 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.66 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.67 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.85 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.67 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.27 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.03 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.66 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 28.49 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.54 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.72 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.55 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.74 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.7 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.09 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.97 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.26 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.31 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.07 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.14 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.19 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.77 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.53 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.18 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.99 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.448 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.31 106.516 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.29 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.88 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.17 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.21 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.86 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.3 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.64 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.21 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.3 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.89 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.13 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.47 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.97 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 19.71 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.73 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.74 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.86 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 15.98 108.466 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.36 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.87 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.19 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.63 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.72 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.9 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.16 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.03 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.5 t-80 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.17 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.36 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.7 109.006 -167.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.63 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.63 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.49 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.26 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.1 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.46 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.13 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.49 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.94 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.26 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.77 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.3 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' 1012 ' ' LEU 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.73 108.746 -172.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.48 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.71 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.11 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.7 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.05 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.1 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.17 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.28 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.72 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.56 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.49 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.67 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.87 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.26 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.14 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.84 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.11 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.24 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.92 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.08 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.89 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.12 116.2 172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.8 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.15 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.85 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.61 111.144 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.99 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.03 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.73 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.57 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.24 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.21 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.63 111.857 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.62 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.06 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.7 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.36 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.39 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.1 109.465 -174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.16 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.86 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.08 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.11 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.31 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.51 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.94 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.06 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.84 109.112 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.34 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.04 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.1 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.28 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.28 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.73 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.23 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.96 113.832 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.8 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.07 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.74 115.396 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.2 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.682 -176.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.78 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.61 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.58 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.02 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.1 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.53 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.52 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.54 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.94 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.15 111.175 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.38 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.51 107.9 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.78 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.26 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.448 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.22 109.384 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.15 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.12 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.24 111.741 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.11 109.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.87 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.89 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.66 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.55 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.85 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.67 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.27 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.03 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.66 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.06 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 28.49 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.54 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.17 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.72 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.36 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.55 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.95 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.56 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.7 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.47 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.09 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.97 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.26 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.31 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.07 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.14 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.19 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.77 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.53 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.18 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.99 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.45 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.31 106.489 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.88 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.17 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.21 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.86 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.3 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.64 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.63 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.21 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.3 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.89 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.13 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.47 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.97 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 19.71 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.73 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.74 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.86 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 15.98 108.468 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.36 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.87 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.19 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.63 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.72 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.9 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.16 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.03 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.17 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.23 114.9 -170.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.7 109.093 -167.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.63 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.63 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.49 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.26 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.1 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.61 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.46 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.13 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.49 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.35 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.26 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.77 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.45 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.708 -172.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.48 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.71 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.11 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.7 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.05 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.1 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.17 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.28 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.72 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.56 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.49 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.67 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.87 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.26 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.14 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.84 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.11 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.24 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.92 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.89 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.12 116.257 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.8 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.15 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.85 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.61 111.172 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.99 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.03 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.46 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.73 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.57 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.24 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.21 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.63 111.835 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.62 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.06 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.7 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.36 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.39 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.1 109.397 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.16 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.86 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.09 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.08 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.11 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.31 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.51 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.94 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.06 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.84 109.16 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.34 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.04 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.1 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.28 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.562 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.28 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.73 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.23 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.96 113.749 176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.8 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.07 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.74 115.455 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.2 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.4 109.65 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.78 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.61 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.58 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.1 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.53 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.52 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.54 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.94 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.15 111.143 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.38 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.251 13.3 t-80 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.51 107.897 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.78 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.26 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.45 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.22 109.394 176.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.15 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.12 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.24 111.71 -172.276 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.11 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.87 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.89 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.66 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.55 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.67 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.27 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.03 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.66 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.06 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 28.49 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.54 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.17 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.72 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.36 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.55 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.26 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.95 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.56 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.74 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.7 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.47 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.09 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.97 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.26 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.31 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.07 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.14 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.19 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.53 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.18 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.99 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.39 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.31 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.29 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.88 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.17 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.21 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.86 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.3 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.64 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.63 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.21 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.3 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.89 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.13 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.47 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.97 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 19.71 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.73 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.86 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 15.98 108.464 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.36 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.87 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.19 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.63 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.9 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.16 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.03 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.17 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.23 114.876 -170.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.36 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.7 109.056 -167.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.63 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.63 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.49 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.1 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.61 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.46 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.13 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.35 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.26 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.77 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.45 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.73 108.799 -172.676 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.48 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.71 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.11 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.05 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.1 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.17 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.28 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.72 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.56 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.67 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.87 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.26 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.14 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.84 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.11 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.24 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.92 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.08 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.89 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.12 116.332 172.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.8 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.15 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.85 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.61 111.173 -172.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.99 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.03 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.73 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.57 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.24 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.21 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.63 111.904 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.62 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.06 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.7 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.36 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.39 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.1 109.398 -174.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.16 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.86 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.09 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.08 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.11 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.31 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.51 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.94 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.06 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.84 109.198 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.34 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.04 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.1 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.28 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.73 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.23 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.96 113.887 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.8 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.07 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.74 115.415 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.2 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.4 109.643 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.78 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.61 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.58 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.02 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.1 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.53 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.52 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.54 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.15 111.102 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.38 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.254 13.3 t-80 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.51 107.881 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.78 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.26 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.22 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.653 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.15 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.12 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.24 111.746 -172.255 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.11 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.87 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.89 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.66 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.55 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.67 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.85 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.67 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.27 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.03 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.553 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.66 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.06 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 28.49 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.54 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.17 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.72 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.36 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.55 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.26 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.95 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.56 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.74 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.7 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.47 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.26 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.07 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.14 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.19 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.77 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.53 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.18 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.99 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.31 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.29 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.88 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.17 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.21 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.86 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.3 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.64 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.63 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.21 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.3 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.89 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.13 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.47 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.97 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 19.71 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.73 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.74 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.86 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 15.98 108.468 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.36 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.87 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.19 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.63 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.72 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.9 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.16 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.03 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.17 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.23 114.898 -170.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.36 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.7 109.075 -167.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.63 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.63 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.49 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.26 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.1 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.61 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.46 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.13 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.35 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.94 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.26 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.77 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.45 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.73 108.762 -172.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.48 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.71 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.11 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.7 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.05 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.1 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.17 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.28 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.72 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.49 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.67 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.87 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.26 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.14 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.84 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.11 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.24 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.92 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.08 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.89 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.12 116.338 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.8 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.15 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.85 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.61 111.273 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.99 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.03 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.46 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.73 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1048 ' ' MET . . . . . 0.434 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.24 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.21 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.63 111.82 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.62 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.06 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.7 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.36 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.39 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.1 109.424 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.16 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.86 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.08 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.11 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.31 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.51 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.94 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.06 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.84 109.249 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.34 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.04 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.1 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.28 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.73 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.23 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.96 113.824 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.8 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.07 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.74 115.436 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.2 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.4 109.693 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.78 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.61 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.58 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.02 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.1 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.53 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.52 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.54 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.15 111.197 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.38 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.3 t-80 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.51 107.909 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.78 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.26 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.655 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.15 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.12 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.24 111.641 -172.197 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.89 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.66 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.55 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.67 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.27 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.03 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.66 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 28.49 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.54 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.17 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.72 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.36 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.55 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.26 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.95 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.56 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.74 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.7 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.47 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.09 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.97 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.26 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.07 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.14 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.19 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.77 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.53 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.18 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.99 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.39 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.31 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.29 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.88 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.17 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.21 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.3 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.63 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.21 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.3 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.89 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.13 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.47 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.97 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.73 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.74 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.86 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.708 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 15.98 108.418 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.36 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.87 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.19 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.63 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.72 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.9 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.16 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.03 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.17 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.23 114.873 -170.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.7 109.031 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.63 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.63 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.49 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.26 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.1 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.61 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.46 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.13 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.49 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.35 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.94 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.26 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.77 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.3 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.45 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' 1012 ' ' LEU 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.697 -172.481 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.48 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.71 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.11 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.7 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.1 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.17 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.28 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.72 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.49 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.67 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.87 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.26 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.14 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.84 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.24 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.92 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.08 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.89 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.12 116.339 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.8 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.692 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.15 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.85 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.61 111.194 -172.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.99 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.03 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.73 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.57 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.24 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.21 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.63 111.811 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.62 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.06 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.7 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.36 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.39 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.1 109.375 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.16 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.86 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.09 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.08 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.11 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.31 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.94 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.06 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.84 109.256 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.04 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.1 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.28 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.28 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.73 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.23 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.96 113.892 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.8 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.07 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.74 115.447 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.2 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.4 109.764 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.78 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.61 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.02 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.1 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.53 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.52 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.54 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.94 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.15 111.194 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.38 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.4 t-80 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.51 107.871 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.78 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.26 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.22 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.15 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1101 ' ' ILE . . . . . 0.401 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.12 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.24 111.716 -172.242 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.709 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.89 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.66 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.55 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.67 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.67 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.27 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.03 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.66 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.06 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 28.49 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.54 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.17 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.72 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.36 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.55 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.26 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.95 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.56 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.74 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.7 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.47 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.09 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.97 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.26 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.31 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.07 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.14 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.19 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.77 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.53 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.18 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.99 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.31 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.29 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.88 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.17 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.21 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.86 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.3 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.64 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.63 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.21 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.3 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.89 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.13 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.47 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.97 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.73 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.74 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.86 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.709 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 15.98 108.444 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.36 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.87 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.19 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.63 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.72 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.9 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.16 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.03 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.7 t-80 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.23 114.905 -170.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.36 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.7 109.055 -167.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.63 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.63 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.49 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.26 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.1 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.61 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.46 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.13 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.35 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.94 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.26 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.77 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.45 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.734 -172.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.48 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.71 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.11 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.7 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.05 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.1 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.28 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.72 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.56 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.49 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.67 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.87 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.26 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.14 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.84 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.11 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.24 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.92 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.693 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.08 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.89 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.12 116.246 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.8 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.15 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.85 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.61 111.124 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.99 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.03 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.46 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.73 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.57 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.24 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.498 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.21 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.63 111.874 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.62 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.06 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.7 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.36 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.39 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.1 109.442 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.16 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.86 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.09 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.11 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.31 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.51 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.94 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.06 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.84 109.216 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.34 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.04 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.1 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.28 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.559 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.28 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.73 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.23 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.96 113.898 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.559 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.8 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.07 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.74 115.396 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.2 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.4 109.652 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.78 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.61 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.58 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.02 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.1 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.53 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.52 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.54 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.94 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.15 111.225 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.38 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.3 t-80 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.874 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.78 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.26 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.22 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.15 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1101 ' ' ILE . . . . . 0.403 HD13 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.12 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.24 111.714 -172.266 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.693 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.11 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.87 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.89 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.66 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.55 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.67 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.85 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.67 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.27 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.03 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.66 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.06 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 28.49 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.54 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.17 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.72 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.36 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.55 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.26 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.95 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.56 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.74 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.7 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.09 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.97 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.26 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.31 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.07 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.14 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.19 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.77 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.53 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.18 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.99 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.39 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.438 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.31 106.523 178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.88 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.17 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.21 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.86 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.3 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.64 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.3 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.89 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.13 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.47 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.97 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.73 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.74 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.86 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.693 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 15.98 108.421 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.36 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.87 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.19 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.63 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.72 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.9 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.16 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.03 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.17 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.23 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.36 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.7 109.02 -167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.63 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.63 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.49 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.26 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.1 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.46 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.13 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.35 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.94 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.26 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.77 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.3 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.45 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.73 108.768 -172.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.48 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.71 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.11 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.7 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.05 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.1 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.17 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.28 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.72 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.56 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.49 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.67 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.87 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.26 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.14 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.84 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.11 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.24 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.92 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.08 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.89 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.12 116.306 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.8 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.15 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.85 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.61 111.281 -172.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.99 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.03 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.73 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.57 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.24 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.501 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.21 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.63 111.891 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.62 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.06 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.7 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.36 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.39 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.1 109.263 -174.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.16 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.86 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.09 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.08 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.11 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.31 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.51 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.94 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.06 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.84 109.184 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.04 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.1 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.28 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.28 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.73 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.23 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.96 113.812 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.8 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.07 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.74 115.453 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.2 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.647 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.78 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.61 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.58 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.02 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.1 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.53 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.52 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.54 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.94 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.15 111.125 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.38 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.25 13.4 t-80 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.51 107.915 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.78 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.26 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.438 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.22 109.409 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.654 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.15 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1101 ' ' ILE . . . . . 0.4 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.12 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.24 111.68 -172.194 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.11 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.87 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.89 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.66 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.55 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.67 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.67 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.27 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.03 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.561 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.66 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.06 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 28.49 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.54 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.17 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.72 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.36 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.55 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.26 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.95 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.56 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.74 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.7 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.47 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.09 108.349 160.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.26 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.07 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.14 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.19 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.77 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.53 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.18 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.99 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.426 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.31 106.513 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.17 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.21 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.86 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.3 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.64 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.63 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.21 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.3 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.89 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.13 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.47 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.97 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.73 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.74 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.86 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 15.98 108.404 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.36 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.87 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.63 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.72 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.9 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.16 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.03 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.6 t-80 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.17 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.23 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.36 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.7 109.089 -167.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.63 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.63 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.49 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.26 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.1 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.61 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.46 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.13 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.49 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.35 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.94 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.77 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.3 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1011 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.45 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.73 108.753 -172.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.48 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.71 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.11 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.7 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.05 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.1 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.17 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.28 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.72 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.56 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.49 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.67 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.87 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.26 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.14 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.84 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.11 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.24 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.92 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.702 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.08 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.12 116.287 172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.8 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.15 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.85 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.61 111.155 -172.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.99 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.03 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.46 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.73 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.57 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.24 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.21 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.63 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.62 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.06 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.7 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.36 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.39 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.1 109.452 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.16 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.86 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.09 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.08 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.11 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.31 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.51 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.94 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.06 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1069 ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.84 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.34 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.04 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.1 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.28 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.551 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.28 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.73 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.23 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.96 113.889 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.8 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.07 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.74 115.379 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.2 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.4 109.684 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.78 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.61 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.58 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.557 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.02 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.1 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.53 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.52 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.54 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.94 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.15 111.226 177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.38 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.252 13.2 t-80 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.51 107.888 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.78 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.26 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.426 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.22 109.365 176.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.656 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.15 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1101 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.12 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.24 111.666 -172.248 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 902' ' ' GLY . . . . . 0.692 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.11 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.87 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.89 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.66 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.55 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.67 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.67 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.27 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.03 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.66 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.06 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 28.49 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.54 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.17 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.72 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.36 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 927' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.55 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.26 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.56 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.74 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.7 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.47 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.09 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.97 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.26 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.31 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.07 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.14 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.19 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.77 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.53 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 945' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 946' ' ' PRO . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.18 108.129 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 946' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 945' ' ' LYS . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.99 107.791 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.39 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.31 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.29 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.88 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.17 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.21 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.86 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.3 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.64 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.63 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.3 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.89 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.13 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.47 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.97 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 19.71 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.73 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.74 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.86 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 978' ' ' SER . . . . . 0.692 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 15.98 108.445 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.36 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.87 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.72 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.9 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.16 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.03 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 988' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 989' ' ' PRO . 50.5 t-80 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.17 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 989' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.23 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.36 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 991' ' ' ILE . . . . . . . . . . . . . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.7 109.042 -167.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.63 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.63 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.49 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.1 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.61 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.46 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1001 ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.13 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.49 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.35 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.94 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.26 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.77 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.3 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1011 ' ' ILE . . . . . 0.404 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.45 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.73 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.48 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.71 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.11 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.7 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.05 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.1 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.17 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.28 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.72 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.56 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.49 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.67 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.87 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.14 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.84 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.11 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.24 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.92 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1035 ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.08 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.89 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.12 116.245 172.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.8 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1039 ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.15 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.85 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.61 111.078 -172.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1042 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.99 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1043 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.03 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.46 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.73 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.57 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.24 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1050 ' ' ARG . . . . . 0.503 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.21 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.63 111.807 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.62 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.06 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.7 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.36 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.39 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.1 109.337 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.16 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.86 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 52.8 t30 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.09 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.08 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.11 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.31 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.51 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.94 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.06 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1069 ' ' MET . . . . . 0.437 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.84 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.34 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.04 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.1 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.28 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.28 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.73 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.23 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.96 113.83 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.8 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.07 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.74 115.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.2 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1083 ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.4 109.709 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.78 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B 1085 ' ' LYS . . . . . 0.56 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.61 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.58 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1088 ' ' THR . . . . . 0.56 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.02 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.1 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.53 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.52 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.54 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.15 111.196 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.38 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1096 ' ' HIS . . . . . . . . . . . . 0.253 13.3 t-80 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.847 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.78 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.26 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.22 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1100 ' ' ARG . . . . . 0.658 ' NH2' ' OD2' ' B' 1067 ' ' ASP . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.15 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1101 ' ' ILE . . . . . 0.422 HD13 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.12 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.24 111.659 -172.207 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.11 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.87 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.89 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.66 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.55 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.67 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.85 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.67 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.27 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.03 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.66 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.06 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 28.49 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.54 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.17 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.72 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.36 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.55 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.26 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.95 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.56 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.74 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.7 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.47 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.09 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.97 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.26 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.31 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.07 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.14 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.19 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.77 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.53 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.18 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.99 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.39 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.31 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.88 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.17 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.21 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.86 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.3 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.64 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.63 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.21 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.89 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.13 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.47 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.97 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 19.71 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.73 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.86 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 15.98 108.446 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.36 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.87 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.19 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.63 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.72 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.9 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.16 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.03 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.23 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.48 HD12 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.7 109.043 -167.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.63 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.63 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.49 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.1 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.61 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.46 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.13 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.49 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.35 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.26 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.77 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.3 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.45 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.73 108.714 -172.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.48 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.71 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.11 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.7 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.05 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.1 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.17 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.28 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.72 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.56 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.49 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.67 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.87 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.26 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.14 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.84 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.11 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.24 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.92 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.08 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.89 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.12 116.348 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.8 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.15 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.85 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.61 111.185 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.99 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.03 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.46 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.57 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.429 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.24 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.21 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.63 111.837 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.62 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.06 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.7 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.36 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.39 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.1 109.409 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.16 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.86 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.09 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.08 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.11 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.31 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.94 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.06 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.84 109.177 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.34 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.04 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.1 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.28 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.28 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.73 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.23 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.96 113.766 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.8 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.07 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.74 115.452 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.2 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.4 109.693 -176.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.78 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.61 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.58 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.02 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.1 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.53 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.52 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.54 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.94 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.15 111.122 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.38 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.2 t60 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.51 107.862 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.78 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.26 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.22 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.15 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.12 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.24 111.683 -172.137 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.719 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.87 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.89 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.66 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.55 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.85 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.67 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.27 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.03 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.554 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.66 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.06 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 28.49 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.54 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.17 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.72 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.36 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.55 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.26 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.56 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.74 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.7 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.47 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.09 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.97 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.26 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.31 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.07 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.14 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.19 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.77 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.53 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.18 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.99 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.447 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.31 106.541 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.29 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.88 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.17 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.21 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.86 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.3 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.64 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.21 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.3 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.89 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.13 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.47 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.97 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.73 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.74 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.86 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.719 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 15.98 108.445 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.36 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.87 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.19 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.63 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.9 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.16 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.03 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.17 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.23 114.891 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.36 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.478 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.7 109.059 -167.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.63 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.63 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.49 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.26 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.1 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.61 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.46 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.13 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.49 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.35 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.26 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.77 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.45 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.48 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.71 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.11 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.05 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.1 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.17 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.28 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.72 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.56 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.49 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.67 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.87 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.26 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.14 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.84 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.11 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.24 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.92 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.08 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.89 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.12 116.239 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.8 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.15 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.85 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.61 111.181 -172.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.99 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.03 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.46 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.73 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.57 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.24 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.21 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.63 111.867 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.62 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.06 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.7 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.36 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.39 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.1 109.36 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.16 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.86 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.08 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.11 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.31 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.51 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.94 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.06 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.84 109.204 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.34 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.04 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.1 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.28 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.568 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.28 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.73 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.23 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.96 113.724 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.8 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.07 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.74 115.379 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.2 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.666 -176.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.78 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.558 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.61 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.58 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.558 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.02 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.1 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.53 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.52 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.54 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.94 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.15 111.134 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.38 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.708 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.51 107.969 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.78 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.26 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.447 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.708 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.15 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.12 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.24 111.668 -172.255 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.11 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.87 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.89 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.66 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.55 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.67 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.85 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.67 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.27 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.03 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.66 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 28.49 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.54 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.17 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.72 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.36 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.55 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.26 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.56 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.74 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.7 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.47 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.97 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.26 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.31 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.07 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.14 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.19 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.77 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.53 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.18 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.99 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.39 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.46 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.31 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.29 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.88 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.17 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.21 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.86 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.3 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.64 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.63 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.21 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.3 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.89 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.13 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.47 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.97 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 19.71 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.73 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.74 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.86 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 15.98 108.515 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.36 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.87 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.19 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.63 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.72 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.16 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.03 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.17 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.23 114.839 -170.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.36 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.7 109.046 -167.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.63 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.63 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.49 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.26 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.1 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.61 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.46 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.13 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.49 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.35 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.94 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.26 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.77 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.3 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.45 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.76 -172.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.48 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.71 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.11 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.7 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.05 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.1 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.17 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.28 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.72 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.56 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.49 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.67 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.87 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.26 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.14 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.84 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.11 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.24 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.92 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.08 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.89 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.12 116.256 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.8 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.15 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.85 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.61 111.179 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.99 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.03 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.46 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.73 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.57 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.24 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.21 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.63 111.823 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.62 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.06 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.7 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.36 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.39 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.1 109.401 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.86 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.09 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.08 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.11 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.31 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.51 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.94 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.06 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.84 109.221 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.34 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.04 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.1 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.73 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.23 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.96 113.901 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.8 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.07 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.74 115.401 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.2 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.4 109.666 -176.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.78 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.61 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.58 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.02 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.1 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.53 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.52 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.54 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.94 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.15 111.144 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.38 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.713 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.2 t60 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.51 107.948 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.78 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.26 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.22 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.713 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.15 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.12 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.24 111.66 -172.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.87 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.89 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.66 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.55 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.67 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.67 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.27 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.03 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.66 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.06 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 28.49 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.54 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.17 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.72 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.36 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.55 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.26 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.56 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.74 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.7 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.47 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.97 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.26 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.31 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.07 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.14 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.19 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.77 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.53 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.18 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.99 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.31 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.29 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.88 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.17 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.21 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.86 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.3 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.64 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.63 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.21 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.3 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.89 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.13 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.47 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.97 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.73 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.74 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.86 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 15.98 108.427 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.36 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.87 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.19 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.63 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.72 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.9 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.16 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.03 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.17 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.23 114.883 -170.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.36 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.7 109.07 -167.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.63 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.63 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.49 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.26 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.1 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.61 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.46 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.13 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.49 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.35 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.94 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.77 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.73 108.648 -172.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.48 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.71 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.11 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.7 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.05 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.1 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.17 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.28 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.72 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.56 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.49 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.67 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.87 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.26 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.14 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.84 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.11 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.24 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.92 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.08 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.89 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.12 116.297 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.15 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.85 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.61 111.162 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.99 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.03 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.46 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.73 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.57 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.24 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.21 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.63 111.833 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.62 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.06 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.7 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.36 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.39 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.1 109.346 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.16 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.86 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.09 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.08 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.11 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.31 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.51 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.94 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.06 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.84 109.209 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.34 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.04 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.1 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.28 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.566 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.28 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.73 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.23 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.96 113.892 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.566 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.8 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.07 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.74 115.385 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.2 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.4 109.73 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.78 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.61 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.58 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.02 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.1 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.53 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.52 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.54 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.94 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.15 111.092 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.38 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.5 t60 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.51 107.973 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.78 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.26 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.22 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.15 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.12 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.24 111.73 -172.266 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.11 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.87 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.89 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.66 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.55 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.67 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.67 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.27 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.66 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.06 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 28.49 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.54 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.17 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.72 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.36 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.55 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.26 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.95 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.56 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.74 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.7 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.47 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.09 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.97 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.26 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.07 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.14 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.19 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.77 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.53 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.18 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.99 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.39 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.31 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.29 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.88 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.17 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.21 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.86 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.3 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.64 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.63 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.21 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.3 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.89 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.13 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.47 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.97 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.73 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.74 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.86 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 15.98 108.411 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.36 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.87 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.19 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.63 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.72 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.9 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.16 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.03 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.1 t60 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.17 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.23 114.865 -170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.36 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.478 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.7 109.051 -167.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.63 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.63 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.49 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.26 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.1 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.13 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.49 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.35 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.94 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.26 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.77 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.3 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.45 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.73 108.729 -172.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.48 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.71 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.11 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.7 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.1 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.17 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.28 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.72 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.56 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.49 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.67 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.87 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.26 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.14 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.84 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.11 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.24 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.92 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.08 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.89 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.12 116.258 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.8 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.15 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.85 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.61 111.204 -172.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.99 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.03 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.46 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.73 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.57 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.24 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.21 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.63 111.771 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.62 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.06 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.7 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.36 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.39 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.1 109.356 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.16 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.86 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.09 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.08 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.11 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.31 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.51 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.94 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.06 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.84 109.288 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.04 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.1 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.28 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.28 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.73 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.23 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.96 113.896 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.8 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.07 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.74 115.416 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.2 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.4 109.732 -176.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.78 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.61 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.58 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.02 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.1 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.53 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.52 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.54 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.94 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.15 111.155 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.38 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.9 t60 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.51 107.925 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.78 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.26 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.22 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.15 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.12 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.24 111.712 -172.272 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.11 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.87 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.89 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.66 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.55 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.67 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.67 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.27 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.66 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.06 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 28.49 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.54 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.17 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.72 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.36 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.55 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.26 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.95 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.56 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.74 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.7 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.47 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.09 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.26 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.07 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.14 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.19 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.77 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.53 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.18 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.99 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.39 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.31 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.17 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.21 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.86 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.3 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.64 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.63 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.21 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.89 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.13 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.47 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.97 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 19.71 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.73 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.74 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.86 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 15.98 108.393 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.36 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.87 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.19 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.63 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.72 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.9 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.16 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.03 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.17 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.23 114.882 -170.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.7 109.049 -167.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.63 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.63 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.49 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.26 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.1 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.46 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.13 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.35 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.94 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.26 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.77 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.45 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.73 108.832 -172.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.48 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.71 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.11 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.7 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.05 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.1 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.17 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.28 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.72 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.56 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.49 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.67 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.87 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.26 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.14 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.84 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.11 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.24 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.92 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.08 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.12 116.212 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.8 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.15 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.85 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.61 111.161 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.99 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.03 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.46 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.73 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.57 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.24 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.21 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.63 111.882 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.62 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.06 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.7 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.36 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.39 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.1 109.429 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.16 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.86 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.09 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.08 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.11 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.31 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.51 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.94 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.06 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.84 109.225 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.34 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.04 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.1 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.28 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.28 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.73 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.23 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.96 113.765 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.8 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.07 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.74 115.46 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.2 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.4 109.576 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.78 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.61 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.58 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.02 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.1 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.53 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.52 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.54 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.94 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.15 111.127 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.38 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.6 t60 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.51 107.903 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.78 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.26 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.22 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.15 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.12 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.24 111.676 -172.203 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.11 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.87 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.89 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.66 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.55 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.67 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.85 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.67 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.27 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.03 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.66 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 28.49 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.54 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.17 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.72 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.36 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.55 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.26 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.95 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.56 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.74 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.7 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.47 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.97 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.26 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.07 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.19 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.77 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.53 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.18 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.99 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.39 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.31 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.29 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.21 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.86 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.3 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.64 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.63 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.21 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.89 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.13 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.47 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.97 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 19.71 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.73 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.74 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.86 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 15.98 108.414 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.36 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.87 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.19 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.63 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.72 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.9 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.16 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.03 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 85.9 t60 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.17 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.23 114.869 -170.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.36 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.7 109.049 -167.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.63 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.63 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.49 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.26 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.1 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.46 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.13 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.49 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.35 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.94 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.26 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.77 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.45 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.73 108.828 -172.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.48 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.71 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.11 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.7 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.1 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.17 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.28 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.72 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.56 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.49 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.67 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.87 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.14 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.84 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.11 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.24 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.92 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.89 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.12 116.318 172.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.8 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.15 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.85 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.61 111.146 -172.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.99 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.03 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.46 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.57 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.24 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.21 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.63 111.89 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.62 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.06 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.7 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.36 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.39 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.1 109.374 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.16 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.86 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.09 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.08 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.11 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.31 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.51 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.94 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.06 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.84 109.24 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.34 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.04 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.1 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.28 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.28 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.73 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.23 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.96 113.851 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.8 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.07 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.74 115.4 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.2 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.4 109.626 -176.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.78 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.61 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.58 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.02 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.1 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.53 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.52 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.54 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.94 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.15 111.133 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.38 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.714 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 56.5 t60 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.51 107.898 179.172 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.78 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.26 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.22 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.714 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.15 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.12 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.24 111.717 -172.285 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.87 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.89 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.66 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.55 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.67 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.67 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.27 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.03 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.66 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 28.49 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.54 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.17 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.72 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.36 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.55 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.26 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.95 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.56 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.74 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.7 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.09 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.97 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.26 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.31 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.07 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.19 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.77 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.53 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.18 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.99 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.39 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.461 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.31 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.29 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.17 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.21 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.86 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.3 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.64 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.63 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.21 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.3 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.89 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.13 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.97 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 19.71 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.73 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.86 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 15.98 108.398 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.36 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.87 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.19 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.63 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.72 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.9 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.16 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.03 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.17 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.23 114.87 -170.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.36 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.7 109.071 -167.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.63 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.63 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.49 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.26 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.1 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.61 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.46 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.13 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.49 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.35 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.94 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.26 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.77 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.3 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.45 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.73 108.736 -172.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.48 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.71 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.11 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.7 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.05 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.1 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.28 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.72 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.56 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.49 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.67 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.87 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.26 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.14 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.84 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.11 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.24 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.92 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.89 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.12 116.371 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.8 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.15 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.85 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.61 111.214 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.99 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.03 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.46 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.73 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.57 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.24 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.21 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.63 111.808 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.62 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.06 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.7 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.36 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.39 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.1 109.359 -174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.16 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.86 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.09 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.08 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.11 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.31 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.51 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.94 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.06 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.84 109.214 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.34 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.04 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.1 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.28 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.28 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.73 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.23 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.96 113.793 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.8 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.07 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.74 115.453 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.2 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.646 -176.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.78 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.61 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.58 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.02 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.1 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.53 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.52 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.54 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.94 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.15 111.053 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.38 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.71 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.4 t60 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.51 107.904 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.78 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.26 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.461 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.22 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.71 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.15 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.12 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.24 111.69 -172.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.87 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.89 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.66 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.55 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.67 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.27 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.03 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.66 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.06 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 28.49 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.54 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.17 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.72 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.36 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.55 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.26 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.95 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.56 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.74 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.7 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.09 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.97 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.26 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.07 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.14 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.19 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.77 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.53 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.18 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.99 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.39 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.31 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.29 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.88 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.17 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.21 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.86 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.3 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.63 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.21 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.3 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.89 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.13 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.97 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.73 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.86 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 15.98 108.389 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.36 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.87 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.19 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.72 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.16 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.03 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.17 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.23 114.888 -170.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.7 109.064 -167.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.63 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.63 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.49 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.1 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.61 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.13 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.49 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.35 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.94 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.26 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.77 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.3 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.73 108.715 -172.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.48 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.71 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.11 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.7 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.05 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.1 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.17 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.28 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.72 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.56 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.49 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.67 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.87 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.26 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.14 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.84 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.24 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.92 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.08 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.89 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.12 116.201 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.15 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.85 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.61 111.193 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.99 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.03 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.46 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.73 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.57 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.24 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.21 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.63 111.882 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.62 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.06 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.7 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.36 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.39 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.1 109.357 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.16 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.86 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.08 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.11 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.31 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.51 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.94 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.06 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.84 109.265 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.34 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.04 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.1 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.28 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.28 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.73 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.23 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.96 113.846 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.8 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.07 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.74 115.417 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.2 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.4 109.636 -176.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.78 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.61 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.58 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.02 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.1 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.53 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.52 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.54 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.15 111.194 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.38 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.4 t60 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.906 179.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.78 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.26 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.22 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.15 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.12 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.24 111.707 -172.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.11 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.87 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.89 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.66 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.67 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.85 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.67 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.27 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.03 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.66 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.06 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 28.49 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.54 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.72 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.55 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.26 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.74 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.7 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.26 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.31 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.07 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.14 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.19 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.53 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.18 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.99 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.454 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.31 106.465 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.88 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.17 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.21 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.86 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.3 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.64 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.21 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.3 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.89 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.13 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.47 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.97 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 19.71 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.73 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.74 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.86 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 15.98 108.452 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.36 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.87 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.19 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.63 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.72 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.9 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.16 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.03 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.1 t60 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.17 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.36 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.7 109.054 -167.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.63 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.63 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.49 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.26 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.1 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.61 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.46 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.13 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.49 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.94 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.26 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.77 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.3 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.45 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.73 108.734 -172.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.48 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.71 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.11 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.7 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.05 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.1 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.17 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.28 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.72 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.56 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.67 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.87 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.26 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.14 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.84 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.11 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.24 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.92 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.08 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.89 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.12 116.263 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.15 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.85 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.61 111.185 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.99 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.03 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.46 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.73 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.24 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.21 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.63 111.851 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.62 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.06 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.7 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.36 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.39 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.1 109.386 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.16 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.86 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.09 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.08 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.11 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.31 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.51 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.94 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.06 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.84 109.189 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.34 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.04 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.1 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.28 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.28 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.73 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.23 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.96 113.794 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.8 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.07 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.74 115.367 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.2 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.4 109.6 -176.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.78 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.61 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.1 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.53 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.52 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.54 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.94 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.15 111.19 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.38 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.4 t60 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.901 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.78 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.26 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.22 109.319 176.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.15 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.12 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.24 111.688 -172.238 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.11 109.235 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.87 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.89 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.66 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.55 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.67 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.85 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.67 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.27 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.03 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.66 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 28.49 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.54 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.17 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.72 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.36 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.55 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.26 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.95 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.56 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.7 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.09 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.97 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.26 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.07 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.14 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.19 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.77 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.53 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.18 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.99 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.443 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.31 106.527 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.29 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.88 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.21 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.3 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.64 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.63 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.21 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.3 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.89 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.13 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.47 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.97 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 19.71 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.73 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.74 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.86 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 15.98 108.461 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.36 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.87 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.19 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.63 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.9 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.16 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.03 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.17 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.23 114.891 -170.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.36 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.7 109.036 -167.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.63 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.63 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.49 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.26 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.1 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.46 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.13 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.35 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.94 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.26 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.77 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.73 108.75 -172.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.48 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.71 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.11 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.7 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.05 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.1 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.17 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.28 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.72 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.56 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.49 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.67 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.87 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.26 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.14 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.84 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.11 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.24 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.92 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.08 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.89 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.12 116.279 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.15 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.85 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.61 111.154 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.99 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.03 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.46 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.73 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.57 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.24 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.21 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.63 111.815 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.62 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.06 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.7 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.36 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.39 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.1 109.507 -174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.86 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.09 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.11 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.31 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.51 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.94 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.06 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.84 109.291 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.04 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.1 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.28 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.28 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.73 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.23 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.96 113.795 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.8 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.07 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.74 115.442 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.2 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.4 109.653 -176.47 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.78 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.61 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.58 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.02 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.1 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.53 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.52 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.54 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.94 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.15 111.22 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.38 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.709 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.51 107.943 179.159 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.78 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.26 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.22 109.323 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.709 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.15 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.12 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.24 111.691 -172.196 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.11 109.251 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.87 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.89 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.66 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.67 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.85 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.67 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.27 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.03 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.66 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 28.49 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.54 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.72 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.55 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.74 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.7 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.09 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.97 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.26 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.31 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.07 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.14 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.19 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.77 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.53 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.18 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.99 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.448 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.31 106.516 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.29 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.88 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.17 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.21 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.86 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.3 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.64 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.21 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.3 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.89 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.13 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.47 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.97 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 19.71 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.73 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.74 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.86 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 15.98 108.466 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.36 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.87 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.19 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.63 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.72 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.9 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.16 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.03 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 85.9 t60 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.17 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.36 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.7 109.006 -167.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.63 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.63 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.49 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.26 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.1 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.46 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.13 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.49 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.94 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.26 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.77 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.3 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' 1012 ' ' LEU 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.73 108.746 -172.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.48 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.71 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.11 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.7 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.05 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.1 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.17 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.28 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.72 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.56 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.49 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.67 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.87 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.26 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.14 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.84 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.11 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.24 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.92 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.08 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.89 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.12 116.2 172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.8 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.15 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.85 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.61 111.144 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.99 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.03 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.73 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.57 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.24 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.21 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.63 111.857 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.62 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.06 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.7 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.36 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.39 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.1 109.465 -174.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.16 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.86 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.08 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.11 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.31 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.51 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.94 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.06 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.84 109.112 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.34 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.04 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.1 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.28 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.28 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.73 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.23 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.96 113.832 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.8 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.07 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.74 115.396 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.2 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.682 -176.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.78 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.61 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.58 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.02 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.1 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.53 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.52 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.54 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.94 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.15 111.175 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.38 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.714 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.51 107.9 179.176 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.78 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.26 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.448 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.22 109.384 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.714 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.15 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.12 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.24 111.741 -172.289 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.11 109.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.87 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.89 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.66 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.55 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.85 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.67 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.27 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.03 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.66 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.06 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 28.49 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.54 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.17 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.72 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.36 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.55 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.95 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.56 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.7 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.47 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.09 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.97 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.26 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.31 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.07 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.14 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.19 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.77 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.53 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.18 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.99 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.45 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.31 106.489 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.88 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.17 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.21 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.86 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.3 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.64 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.63 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.21 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.3 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.89 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.13 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.47 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.97 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 19.71 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.73 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.74 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.86 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 15.98 108.468 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.36 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.87 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.19 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.63 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.72 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.9 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.16 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.03 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.17 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.23 114.9 -170.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.7 109.093 -167.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.63 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.63 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.49 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.26 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.1 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.61 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.46 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.13 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.49 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.35 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.26 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.77 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.45 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.708 -172.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.48 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.71 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.11 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.7 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.05 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.1 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.17 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.28 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.72 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.56 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.49 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.67 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.87 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.26 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.14 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.84 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.11 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.24 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.92 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.89 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.12 116.257 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.8 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.15 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.85 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.61 111.172 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.99 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.03 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.46 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.73 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.57 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.24 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.21 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.63 111.835 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.62 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.06 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.7 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.36 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.39 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.1 109.397 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.16 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.86 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.09 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.08 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.11 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.31 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.51 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.94 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.06 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.84 109.16 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.34 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.04 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.1 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.28 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.562 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.28 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.73 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.23 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.96 113.749 176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.8 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.07 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.74 115.455 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.2 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.4 109.65 -176.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.78 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.61 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.58 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.1 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.53 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.52 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.54 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.94 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.15 111.143 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.38 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.9 t60 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.51 107.897 179.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.78 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.26 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.45 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.22 109.394 176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.15 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.12 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.24 111.71 -172.276 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.11 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.87 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.89 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.66 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.55 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.67 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.27 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.03 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.66 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.06 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 28.49 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.54 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.17 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.72 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.36 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.55 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.26 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.95 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.56 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.74 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.7 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.47 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.09 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.97 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.26 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.31 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.07 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.14 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.19 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.53 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.18 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.99 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.39 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.31 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.29 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.88 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.17 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.21 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.86 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.3 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.64 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.63 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.21 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.3 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.89 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.13 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.47 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.97 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 19.71 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.73 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.86 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 15.98 108.464 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.36 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.87 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.19 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.63 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.9 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.16 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.03 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.17 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.23 114.876 -170.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.36 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.7 109.056 -167.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.63 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.63 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.49 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.1 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.61 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.46 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.13 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.35 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.26 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.77 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.45 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.73 108.799 -172.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.48 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.71 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.11 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.05 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.1 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.17 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.28 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.72 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.56 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.67 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.87 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.26 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.14 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.84 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.11 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.24 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.92 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.08 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.89 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.12 116.332 172.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.8 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.15 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.85 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.61 111.173 -172.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.99 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.03 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.73 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.57 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.24 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.21 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.63 111.904 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.62 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.06 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.7 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.36 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.39 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.1 109.398 -174.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.16 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.86 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.09 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.08 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.11 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.31 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.51 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.94 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.06 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.84 109.198 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.34 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.04 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.1 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.28 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.73 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.23 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.96 113.887 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.8 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.07 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.74 115.415 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.2 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.4 109.643 -176.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.78 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.61 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.58 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.02 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.1 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.53 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.52 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.54 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.15 111.102 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.38 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.254 56.4 t60 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.51 107.881 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.78 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.26 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.22 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.15 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.12 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.24 111.746 -172.255 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.11 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.87 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.89 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.66 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.55 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.67 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.85 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.67 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.27 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.03 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.553 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.66 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.06 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 28.49 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.54 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.17 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.72 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.36 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.55 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.26 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.95 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.56 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.74 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.7 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.47 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.26 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.07 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.14 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.19 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.77 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.53 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.18 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.99 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.31 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.29 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.88 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.17 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.21 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.86 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.3 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.64 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.63 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.21 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.3 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.89 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.13 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.47 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.97 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 19.71 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.73 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.74 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.86 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 15.98 108.468 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.36 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.87 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.19 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.63 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.72 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.9 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.16 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.03 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.17 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.23 114.898 -170.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.36 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.7 109.075 -167.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.63 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.63 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.49 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.26 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.1 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.61 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.46 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.13 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.35 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.94 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.26 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.77 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.45 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.73 108.762 -172.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.48 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.71 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.11 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.7 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.05 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.1 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.17 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.28 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.72 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.49 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.67 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.87 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.26 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.14 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.84 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.11 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.24 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.92 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.08 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.89 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.12 116.338 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.8 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.15 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.85 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.61 111.273 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.99 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.03 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.46 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.73 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . 0.434 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.24 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.21 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.63 111.82 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.62 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.06 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.7 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.36 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.39 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.1 109.424 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.16 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.86 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.08 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.11 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.31 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.51 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.94 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.06 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.84 109.249 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.34 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.04 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.1 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.28 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.73 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.23 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.96 113.824 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.8 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.07 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.74 115.436 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.2 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.4 109.693 -176.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.78 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.61 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.58 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.02 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.1 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.53 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.52 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.54 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.15 111.197 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.38 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.3 t60 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.51 107.909 179.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.78 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.26 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.15 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.12 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.24 111.641 -172.197 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.89 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.66 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.55 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.67 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.27 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.03 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.66 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 28.49 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.54 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.17 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.72 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.36 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.55 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.26 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.95 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.56 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.74 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.7 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.47 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.09 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.97 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.26 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.07 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.14 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.19 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.77 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.53 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.18 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.99 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.39 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.31 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.29 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.88 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.17 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.21 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.3 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.63 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.21 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.3 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.89 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.13 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.47 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.97 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.73 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.74 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.86 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.708 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 15.98 108.418 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.36 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.87 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.19 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.63 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.72 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.9 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.16 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.03 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.17 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.23 114.873 -170.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.7 109.031 -167.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.63 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.63 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.49 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.26 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.1 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.61 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.46 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.13 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.49 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.35 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.94 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.26 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.77 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.3 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.45 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' 1012 ' ' LEU 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.697 -172.481 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.48 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.71 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.11 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.7 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.1 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.17 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.28 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.72 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.49 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.67 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.87 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.26 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.14 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.84 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.24 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.92 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.08 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.89 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.12 116.339 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.8 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.692 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.15 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.85 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.61 111.194 -172.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.99 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.03 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.73 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.57 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.24 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.21 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.63 111.811 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.62 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.06 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.7 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.36 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.39 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.1 109.375 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.16 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.86 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.09 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.08 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.11 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.31 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.94 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.06 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.84 109.256 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.04 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.1 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.28 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.28 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.73 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.23 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.96 113.892 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.8 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.07 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.74 115.447 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.2 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.4 109.764 -176.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.78 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.61 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.02 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.1 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.53 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.52 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.54 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.94 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.15 111.194 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.38 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.1 t60 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.51 107.871 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.78 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.26 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.22 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.15 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . 0.401 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.12 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.24 111.716 -172.242 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.709 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.89 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.66 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.55 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.67 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.67 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.27 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.03 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.66 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.06 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 28.49 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.54 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.17 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.72 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.36 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.55 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.26 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.95 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.56 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.74 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.7 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.47 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.09 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.97 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.26 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.31 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.07 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.14 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.19 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.77 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.53 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.18 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.99 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.31 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.29 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.88 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.17 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.21 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.86 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.3 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.64 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.63 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.21 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.3 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.89 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.13 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.47 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.97 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.73 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.74 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.86 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.709 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 15.98 108.444 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.36 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.87 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.19 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.63 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.72 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.9 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.16 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.03 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.23 114.905 -170.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.36 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.7 109.055 -167.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.63 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.63 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.49 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.26 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.1 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.61 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.46 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.13 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.35 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.94 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.26 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.77 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.45 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.734 -172.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.48 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.71 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.11 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.7 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.05 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.1 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.28 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.72 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.56 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.49 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.67 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.87 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.26 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.14 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.84 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.11 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.24 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.92 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.693 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.08 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.89 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.12 116.246 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.8 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.15 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.85 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.61 111.124 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.99 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.03 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.46 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.73 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.57 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.24 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.498 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.21 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.63 111.874 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.62 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.06 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.7 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.36 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.39 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.1 109.442 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.16 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.86 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.09 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.11 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.31 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.51 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.94 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.06 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.84 109.216 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.34 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.04 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.1 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.28 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.559 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.28 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.73 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.23 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.96 113.898 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.559 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.8 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.07 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.74 115.396 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.2 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.4 109.652 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.78 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.61 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.58 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.02 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.1 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.53 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.52 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.54 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.94 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.15 111.225 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.38 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.4 t60 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.874 179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.78 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.26 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.22 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.15 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . 0.403 HD13 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.12 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.24 111.714 -172.266 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.693 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.11 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.87 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.89 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.66 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.55 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.67 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.85 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.67 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.27 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.03 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.66 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.06 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 28.49 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.54 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.17 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.72 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.36 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.55 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.26 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.95 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.56 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.74 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.7 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.09 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.97 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.26 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.31 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.07 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.14 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.19 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.77 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.53 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.18 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.99 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.39 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.438 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.31 106.523 178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.88 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.17 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.21 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.86 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.3 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.64 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.3 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.89 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.13 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.47 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.97 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.73 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.74 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.86 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.693 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 15.98 108.421 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.36 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.87 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.19 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.63 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.72 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.9 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.16 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.03 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.47 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.17 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.23 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.36 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.7 109.02 -167.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.63 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.63 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.49 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.26 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.1 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.46 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.13 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.35 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.94 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.26 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.77 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.3 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.45 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.73 108.768 -172.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.48 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.71 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.11 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.7 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.05 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.1 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.17 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.28 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.72 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.56 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.49 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.67 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.87 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.26 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.14 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.84 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.11 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.24 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.92 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.08 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.89 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.12 116.306 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.8 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.15 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.85 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.61 111.281 -172.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.99 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.03 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.73 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.57 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.24 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.501 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.21 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.63 111.891 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.62 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.06 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.7 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.36 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.39 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.1 109.263 -174.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.16 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.86 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.09 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.08 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.11 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.31 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.51 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.94 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.06 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.84 109.184 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.04 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.1 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.28 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.28 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.73 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.23 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.96 113.812 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.8 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.07 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.74 115.453 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.2 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.647 -176.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.78 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.61 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.58 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.02 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.1 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.53 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.52 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.54 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.94 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.15 111.125 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.38 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.708 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.51 107.915 179.15 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.78 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.26 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.438 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.22 109.409 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.708 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.15 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . 0.4 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.12 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.24 111.68 -172.194 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.11 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.87 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.89 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.66 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.55 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.67 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.67 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.27 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.03 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.561 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.66 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.06 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 28.49 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.54 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.17 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.72 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.36 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.55 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.26 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.95 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.56 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.74 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.7 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.47 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.09 108.349 160.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.26 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.07 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.14 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.19 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.77 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.53 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.18 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.99 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.426 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.31 106.513 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.17 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.21 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.86 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.3 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.64 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.63 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.21 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.3 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.89 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.13 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.47 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.97 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.73 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.74 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.86 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 15.98 108.404 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.36 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.87 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.63 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.72 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.9 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.16 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.03 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.17 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.23 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.36 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.7 109.089 -167.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.63 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.63 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.49 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.26 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.1 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.61 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.46 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.13 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.49 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.35 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.94 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.77 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.3 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.45 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.73 108.753 -172.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.48 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.71 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.11 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.7 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.05 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.1 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.17 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.28 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.72 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.56 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.49 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.67 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.87 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.26 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.14 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.84 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.11 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.24 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.92 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.702 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.08 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.12 116.287 172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.8 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.15 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.85 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.61 111.155 -172.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.99 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.03 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.46 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.73 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.57 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.24 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.21 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.63 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.62 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.06 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.7 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.36 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.39 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.1 109.452 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.16 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.86 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.09 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.08 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.11 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.31 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.51 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.94 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.06 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.84 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.34 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.04 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.1 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.28 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.551 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.28 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.73 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.23 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.96 113.889 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.8 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.07 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.74 115.379 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.2 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.4 109.684 -176.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.78 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.61 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.58 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.557 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.02 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.1 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.53 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.52 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.54 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.94 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.15 111.226 177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.38 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.701 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 57.0 t60 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.51 107.888 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.78 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.26 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.426 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.22 109.365 176.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.701 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.15 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.12 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.24 111.666 -172.248 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' GLY . . . . . 0.692 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.11 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.87 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.89 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.66 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.55 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.67 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.67 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.27 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.03 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.66 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.06 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 28.49 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.54 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.17 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.72 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.36 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 927' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.55 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.26 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.56 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.74 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.7 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.47 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.09 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.97 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.26 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.31 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.07 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.14 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.19 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.77 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.53 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 946' ' ' PRO . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.18 108.129 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 946' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 945' ' ' LYS . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.99 107.791 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.39 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.31 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.29 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.88 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.17 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.21 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.86 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.3 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.64 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.63 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.3 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.89 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.13 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.47 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.97 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 19.71 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.73 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.74 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.86 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' SER . . . . . 0.692 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 15.98 108.445 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.36 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.87 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.72 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.9 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.16 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.03 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.17 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.23 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.36 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.7 109.042 -167.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.63 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.63 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.49 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.1 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.61 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.46 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.13 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.49 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.35 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.94 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.26 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.77 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.3 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1011 ' ' ILE . . . . . 0.404 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.45 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1012 ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.73 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.48 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.71 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.11 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.7 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.05 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.1 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.17 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.28 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.72 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.56 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.49 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.67 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.87 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.14 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.84 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.11 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.24 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.92 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1035 ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.08 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.89 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.12 116.245 172.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.8 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1039 ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.15 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.85 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.61 111.078 -172.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1042 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.99 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1043 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.03 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.46 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.73 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.57 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.24 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1050 ' ' ARG . . . . . 0.503 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.21 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.63 111.807 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.62 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.06 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.7 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.36 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.39 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.1 109.337 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.16 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.86 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.09 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.08 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.11 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.31 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.51 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.94 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.06 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1069 ' ' MET . . . . . 0.437 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.84 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.34 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.04 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.1 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.28 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.28 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.73 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.23 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.96 113.83 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.8 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.07 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.74 115.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.2 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1083 ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.4 109.709 -176.587 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.78 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' B' B 1085 ' ' LYS . . . . . 0.56 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.61 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.58 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1088 ' ' THR . . . . . 0.56 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.02 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.1 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.53 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.52 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.54 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.15 111.196 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.38 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1096 ' ' HIS . . . . . 0.695 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.6 t60 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.847 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.78 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.26 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.22 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1100 ' ' ARG . . . . . 0.695 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.15 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1101 ' ' ILE . . . . . 0.422 HD13 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.12 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.24 111.659 -172.207 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.84 0 N-CA-C 109.292 -1.523 . . . . 16.11 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.1 59.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 106.384 -1.71 . . . . 18.43 106.384 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.78 49.92 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 106.104 -1.813 . . . . 72.87 106.104 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.0 t -113.82 116.31 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 121.913 2.142 . . . . 16.89 105.254 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.8 53.97 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 120.528 -1.357 . . . . 39.66 108.706 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.92 128.82 37.28 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 121.814 2.097 . . . . 18.55 115.881 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.25 -43.45 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.315 -0.995 . . . . 15.34 108.315 169.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.856 -1.905 . . . . 42.67 105.856 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.43 145.07 57.88 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.142 2.561 . . . . 20.98 114.674 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.22 37.19 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 108.897 -1.681 . . . . 24.91 108.897 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.983 1.475 . . . . 28.85 114.983 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.57 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.63 -0.668 . . . . 19.67 114.447 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 119.39 1.595 . . . . 98.27 112.205 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.04 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.418 1.087 . . . . 20.68 112.36 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-O 115.673 -2.108 . . . . 22.03 108.416 -175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.761 2.974 . . . . 27.68 111.261 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.883 -1.895 . . . . 88.66 105.883 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.36 132.75 44.68 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.151 -1.055 . . . . 99.06 108.151 171.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.61 -14.14 63.69 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-O 118.482 -1.176 . . . . 28.49 112.565 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.51 151.74 30.59 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 121.222 2.511 . . . . 35.54 109.762 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.83 120.47 26.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 125.351 1.657 . . . . 23.17 109.137 170.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.84 135.33 35.27 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.71 -1.219 . . . . 17.72 107.71 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.8 118.41 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.452 -1.684 . . . . 14.36 106.452 177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.34 157.51 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 O-C-N 121.623 -0.673 . . . . 11.27 112.181 -170.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.08 144.19 37.44 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.242 -1.021 . . . . 20.93 108.242 158.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.5 155.53 44.36 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.506 0.67 . . . . 14.55 112.42 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.11 132.21 47.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 104.14 -2.541 . . . . 14.19 104.14 166.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.06 16.98 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.457 -1.057 . . . . 15.91 110.457 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.31 43.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.931 0.872 . . . . 33.26 109.427 173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.55 44.05 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.276 -1.379 . . . . 36.95 107.276 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.12 6.75 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.684 1.584 . . . . 72.56 109.463 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.5 23.44 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.501 2.096 . . . . 71.74 115.741 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.04 -155.61 6.8 Favored Glycine 0 N--CA 1.438 -1.167 0 CA-C-N 111.702 -2.499 . . . . 48.7 111.002 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.57 135.72 43.94 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 110.884 -2.658 . . . . 83.47 110.726 -168.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.84 129.54 40.21 Favored 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.322 -0.992 . . . . 73.09 108.322 160.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 118.53 -0.747 . . . . 20.97 111.105 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.57 15.91 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.699 2.045 . . . . 22.26 113.341 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.48 128.73 7.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.53 -1.655 . . . . 23.31 106.53 174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.2 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.195 -0.602 . . . . 19.07 111.281 172.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.278 0 O-C-N 120.695 -1.253 . . . . 50.14 110.964 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.4 61.79 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 124.238 1.97 . . . . 77.19 112.356 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.3 -7.76 59.63 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 111.379 -2.646 . . . . 68.77 112.584 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.03 13.45 3.75 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.865 0.866 . . . . 92.53 111.468 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.23 24.58 Favored Pre-proline 0 C--O 1.24 0.569 0 O-C-N 120.302 -1.499 . . . . 86.18 108.168 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.07 152.52 40.56 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.681 2.92 . . . . 32.99 107.769 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -94.98 140.62 29.7 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 112.079 -2.328 . . . . 21.39 106.369 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 106.508 -1.664 . . . . 31.31 106.508 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.491 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.67 123.99 44.47 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.399 1.095 . . . . 52.57 108.425 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 137.01 52.45 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.072 -1.422 . . . . 23.88 108.497 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.93 -5.61 83.21 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 117.687 -1.619 . . . . 41.17 114.758 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.24 9.92 34.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.346 2.573 . . . . 79.21 115.059 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 116.839 2.163 . . . . 66.86 116.839 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 95.9 mt-10 -74.13 -29.55 61.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.691 -1.255 . . . . 26.18 112.512 173.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.51 18.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.772 0.796 . . . . 13.3 110.456 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-O 122.047 0.927 . . . . 11.35 112.671 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.62 74.42 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.323 1.601 . . . . 64.64 115.323 -173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.99 -31.56 76.93 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.844 -0.976 . . . . 12.57 113.881 177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.48 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 118.313 -0.851 . . . . 14.82 108.76 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.93 -45.81 82.47 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 119.547 1.067 . . . . 44.5 112.0 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.91 -34.02 39.32 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.174 1.176 . . . . 52.63 114.174 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.16 20.79 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.544 -0.622 . . . . 14.21 111.544 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.53 -33.17 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.91 45.13 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.131 1.9 . . . . 11.35 116.131 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.39 13.29 33.76 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 120.371 -1.455 . . . . 18.89 111.701 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.45 146.96 27.34 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 107.37 -1.344 . . . . 14.13 107.37 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.24 12.37 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.588 -0.845 . . . . 15.47 112.41 172.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.88 130.69 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 118.511 0.596 . . . . 22.97 109.864 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.74 61.49 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.433 1.083 . . . . 16.68 113.153 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.41 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.807 -0.819 . . . . 16.0 109.448 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.69 56.23 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 105.977 -1.86 . . . . 19.71 105.977 168.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.8 44.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.369 1.081 . . . . 11.91 113.577 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.93 35.11 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 104.254 -2.499 . . . . 40.73 104.254 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.85 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.494 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 121.387 1.903 . . . . 13.86 107.402 172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.1 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-O 123.526 1.632 . . . . 11.09 107.459 -167.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.48 86.23 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 117.02 -1.467 . . . . 15.98 108.446 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.27 -36.33 98.98 Favored 'Trans proline' 0 CA--C 1.504 -1.024 0 C-N-CA 124.972 3.782 . . . . 16.36 112.687 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.17 63.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 114.182 1.179 . . . . 25.87 114.182 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.11 38.9 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.331 -0.856 . . . . 40.19 111.21 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.65 0.22 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.494 -2.039 . . . . 14.63 105.494 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.68 26.56 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 117.02 -3.55 . . . . 14.49 114.872 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 115.329 0.892 . . . . 13.72 115.329 165.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.79 59.75 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 118.526 -1.27 . . . . 19.9 112.087 -172.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.04 -33.3 13.45 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.86 -1.775 . . . . 46.16 111.964 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.61 54.66 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 108.7 -1.76 . . . . 15.03 108.7 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.48 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.3 37.29 Favored Pre-proline 0 N--CA 1.438 -1.067 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -48.01 127.03 14.13 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.725 3.617 . . . . 47.23 114.844 -170.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.68 28.11 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.75 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.48 HD12 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.87 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.784 2.292 . . . . 20.7 109.043 -167.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.57 31.59 Favored Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 119.192 -2.193 . . . . 20.63 105.474 -170.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.79 162.95 40.13 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.629 3.552 . . . . 23.63 112.255 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -53.29 142.66 56.18 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.873 3.049 . . . . 17.49 110.199 168.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.06 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.121 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.56 35.62 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 120.166 1.348 . . . . 16.1 112.631 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.03 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.907 -1.146 . . . . 15.74 107.907 167.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.722 -1.214 . . . . 14.61 107.722 -174.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.19 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 122.089 0.947 . . . . 14.46 109.077 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 139.96 50.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.942 -1.026 . . . . 14.6 110.988 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.76 31.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.5 t -127.03 130.87 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.494 1.497 . . . . 15.13 107.718 -172.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.14 31.19 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.182 -1.044 . . . . 35.49 108.182 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.6 tp -86.13 102.74 14.14 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 123.039 1.4 . . . . 17.35 108.288 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.5 -45.93 42.7 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 113.366 -1.743 . . . . 26.84 114.868 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.69 153.87 6.27 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.052 -1.462 . . . . 28.26 107.052 172.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 108.244 -1.021 . . . . 62.18 108.244 171.452 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.874 0 CA-C-O 124.873 2.273 . . . . 73.77 115.667 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.28 113.48 20.91 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.515 -3.143 . . . . 35.3 102.515 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.92 141.23 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.978 -4.689 . . . . 39.45 109.922 173.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 24.9 mt -74.08 153.58 39.56 Favored 'General case' 0 C--O 1.257 1.456 0 C-N-CA 115.027 -2.669 . . . . 43.73 108.714 -172.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.7 69.86 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 115.996 -1.954 . . . . 34.48 108.544 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.38 -47.19 69.7 Favored 'General case' 0 C--N 1.289 -2.059 0 C-N-CA 130.584 3.554 . . . . 53.71 109.13 173.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.58 66.3 Favored 'General case' 0 C--N 1.376 1.731 0 O-C-N 119.837 -1.789 . . . . 63.11 109.85 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.093 -3.843 . . . . 48.7 103.311 -167.018 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.62 -37.14 85.73 Favored 'General case' 0 C--N 1.373 1.587 0 N-CA-C 115.349 1.611 . . . . 29.05 115.349 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.65 78.26 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 106.902 -1.518 . . . . 35.1 106.902 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.49 -41.54 88.75 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.25 1.204 . . . . 61.75 114.25 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.21 95.38 Favored Glycine 0 CA--C 1.566 3.264 0 CA-C-O 116.432 -2.315 . . . . 29.17 112.549 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 125.294 1.232 . . . . 25.27 108.555 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.24 -47.58 80.99 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 128.628 2.771 . . . . 49.28 109.403 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.2 -42.81 65.36 Favored 'General case' 0 C--O 1.187 -2.19 0 O-C-N 124.861 1.351 . . . . 58.72 110.387 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.41 83.36 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.107 -1.425 . . . . 26.56 107.794 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.83 -36.07 76.05 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.953 -1.899 . . . . 29.49 115.323 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.32 -43.99 96.23 Favored 'General case' 0 C--O 1.295 3.496 0 C-N-CA 116.908 -1.917 . . . . 86.67 114.592 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.45 -40.46 91.21 Favored 'General case' 0 N--CA 1.435 -1.224 0 O-C-N 119.215 -2.178 . . . . 37.87 114.467 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.85 1.83 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.599 -1.667 . . . . 39.32 107.195 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.54 -37.97 65.42 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 115.904 1.816 . . . . 37.26 115.904 -174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.04 3.98 Favored Glycine 0 N--CA 1.409 -3.134 0 C-N-CA 126.217 1.865 . . . . 50.14 109.087 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.56 46.11 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 119.047 2.98 . . . . 83.84 119.047 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.04 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.665 -1.16 . . . . 55.11 110.144 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.7 93.21 4.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 124.628 1.205 . . . . 34.24 111.881 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.0 t -72.82 -42.16 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 C-N-CA 126.027 1.731 . . . . 33.92 107.001 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.99 -42.28 68.84 Favored 'General case' 0 C--O 1.278 2.599 0 C-N-CA 116.035 -2.266 . . . . 74.08 112.123 177.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.53 59.62 Favored Glycine 1 C--O 1.104 -8.029 0 N-CA-C 107.094 -2.402 . . . . 26.89 107.094 -173.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.27 -40.63 71.21 Favored 'General case' 0 C--O 1.283 2.846 0 O-C-N 118.461 -2.787 . . . . 31.12 116.348 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.37 -44.7 82.43 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 115.465 -2.207 . . . . 36.8 112.138 172.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.13 -41.61 71.97 Favored 'General case' 0 N--CA 1.408 -2.548 1 O-C-N 129.686 4.366 . . . . 55.15 110.586 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.44 -48.84 79.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-O 116.226 -1.845 . . . . 28.85 113.383 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.06 -27.34 57.22 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.913 1.688 . . . . 32.61 111.185 -172.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.37 -40.21 57.2 Favored Pre-proline 0 N--CA 1.506 2.372 0 CA-C-N 121.269 1.85 . . . . 77.99 115.84 -173.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.08 -27.11 17.45 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.9 3.067 . . . . 37.5 110.697 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.16 -46.74 66.81 Favored 'General case' 0 C--O 1.29 3.187 0 C-N-CA 113.992 -3.083 . . . . 38.03 111.507 176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.74 -38.65 85.84 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 117.152 -1.819 . . . . 28.46 112.128 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.29 83.9 Favored 'General case' 1 N--CA 1.544 4.252 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.413 -175.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -43.04 99.68 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.585 -2.846 . . . . 83.57 115.653 169.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.429 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -55.97 -44.68 78.76 Favored 'General case' 0 C--O 1.218 -0.586 1 O-C-N 115.929 -4.232 . . . . 45.57 109.465 173.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.69 -40.22 62.72 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.909 1.381 . . . . 75.24 112.937 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.05 -32.57 74.35 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 115.174 -2.346 . . . . 91.25 111.075 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.28 12.16 Favored Glycine 0 N--CA 1.463 0.456 0 CA-C-N 121.841 2.109 . . . . 53.21 112.599 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.83 141.4 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.914 0 C-N-CA 123.454 2.77 . . . . 40.63 111.837 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.55 1.09 9.48 Favored 'General case' 1 C--O 1.139 -4.743 0 O-C-N 117.912 -2.992 . . . . 76.62 115.438 174.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.24 163.06 24.03 Favored 'General case' 0 C--O 1.284 2.908 0 O-C-N 120.229 -1.544 . . . . 36.06 111.394 170.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.63 -45.22 85.7 Favored 'General case' 0 N--CA 1.517 2.888 0 O-C-N 119.741 -1.85 . . . . 38.7 109.15 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.03 -32.22 73.69 Favored 'General case' 0 C--O 1.302 3.854 0 C-N-CA 127.197 2.199 . . . . 50.36 110.954 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.67 -38.77 67.52 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-O 124.959 2.314 . . . . 33.39 107.394 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.2 m -68.32 -41.1 81.33 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 113.21 -1.814 . . . . 39.1 109.409 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.51 -34.89 65.49 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 114.914 -2.714 . . . . 32.16 106.409 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.446 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.4 -43.79 98.26 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 120.536 1.516 . . . . 31.86 109.632 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.93 -42.24 94.85 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 119.671 -0.812 . . . . 38.09 111.815 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.23 -44.32 71.61 Favored 'General case' 0 CA--C 1.601 2.939 0 N-CA-C 115.516 1.672 . . . . 28.08 115.516 171.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.09 34.68 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.682 3.114 . . . . 28.68 113.131 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.28 2.671 0 CA-C-O 112.522 -3.608 . . . . 42.11 112.062 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.48 50.45 Favored Glycine 1 C--O 1.168 -4.008 0 CA-C-N 122.082 2.219 . . . . 31.31 108.632 -167.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.3 -45.13 94.46 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.294 -177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.651 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.81 90.7 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.513 -1.367 . . . . 40.94 110.613 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.07 -37.21 81.01 Favored 'General case' 0 C--O 1.269 2.097 0 C-N-CA 116.638 -2.025 . . . . 25.06 110.983 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.86 -46.01 91.27 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.892 -1.13 . . . . 63.84 109.177 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.6 -41.54 86.05 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 117.603 -1.189 . . . . 46.34 113.234 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.48 94.46 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 120.036 1.289 . . . . 30.52 108.178 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.51 77.0 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 115.352 -2.261 . . . . 46.04 114.944 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.43 -42.06 99.17 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.889 2.586 . . . . 79.1 110.195 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.32 -46.38 88.75 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 118.234 -1.386 . . . . 45.28 111.835 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.52 -45.53 81.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 113.631 -3.227 . . . . 37.28 111.098 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.06 -32.38 72.9 Favored 'General case' 0 C--O 1.269 2.096 0 O-C-N 119.995 -1.691 . . . . 45.73 109.206 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.03 -41.85 97.34 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 124.498 2.094 . . . . 72.23 113.655 176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.66 91.31 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 113.494 -1.684 . . . . 34.96 113.766 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.57 -41.91 73.97 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 127.461 2.975 . . . . 46.8 108.009 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.39 -39.71 13.23 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.611 -0.885 . . . . 70.07 108.611 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.3 p -76.36 -34.51 58.93 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 116.96 -3.587 . . . . 41.74 115.452 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.1 75.42 Favored Glycine 0 N--CA 1.493 2.486 2 O-C-N 114.075 -5.391 . . . . 28.2 111.062 -169.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.55 22.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 112.805 -3.474 . . . . 61.4 109.693 -176.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.4 -26.48 9.35 Favored 'Isoleucine or valine' 1 C--O 1.314 4.488 0 CA-C-N 124.261 3.21 . . . . 42.78 115.138 -178.885 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.04 -31.35 66.93 Favored 'General case' 0 N--CA 1.425 -1.712 0 O-C-N 116.344 -3.973 . . . . 73.61 113.504 171.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.69 77.29 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 115.267 -2.573 . . . . 40.58 109.77 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.5 tp -73.52 -27.9 61.61 Favored 'General case' 0 C--O 1.293 3.393 0 C-N-CA 118.32 -1.352 . . . . 43.18 111.631 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.39 -40.77 96.45 Favored 'General case' 1 N--CA 1.544 4.258 1 C-N-CA 110.076 -4.65 . . . . 44.02 105.552 179.056 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.46 -33.47 71.34 Favored 'General case' 0 N--CA 1.521 3.08 1 CA-C-O 128.864 4.173 . . . . 58.1 109.92 -171.49 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.38 Favored 'General case' 1 N--CA 1.54 4.049 0 CA-C-N 108.443 -3.981 . . . . 24.53 110.927 175.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.22 -21.66 61.37 Favored 'General case' 0 C--N 1.415 3.433 0 CA-C-O 116.381 -1.771 . . . . 33.52 111.495 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.49 -40.29 80.99 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.222 1.828 . . . . 40.54 108.444 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.1 66.37 Favored 'General case' 0 C--O 1.279 2.627 0 CA-C-O 114.289 -2.767 . . . . 30.94 108.779 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.27 -39.63 92.84 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 126.979 2.674 . . . . 25.15 111.122 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.06 -41.17 77.97 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.259 -1.829 . . . . 27.38 106.467 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.2 t60 -58.78 -46.77 86.76 Favored 'General case' 0 N--CA 1.513 2.71 0 CA-C-O 116.645 -1.645 . . . . 51.51 107.862 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.26 -49.71 61.3 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.267 1.604 . . . . 24.78 113.145 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.12 89.85 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.286 -1.509 . . . . 29.26 113.439 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.7 mtp85 -64.67 -42.31 95.45 Favored 'General case' 0 N--CA 1.405 -2.704 0 CA-C-O 111.756 -3.973 . . . . 39.22 109.388 176.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.41 95.26 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.409 4.193 . . . . 86.15 109.946 -178.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.64 -28.72 45.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 120.972 -1.08 . . . . 44.12 110.678 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.269 2.081 0 O-C-N 120.853 -1.154 . . . . 45.24 111.683 -172.137 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.719 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.34 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 106.349 -1.723 . . . . 18.43 106.349 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.81 49.9 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 106.142 -1.799 . . . . 72.87 106.142 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.4 t -113.8 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 121.977 2.171 . . . . 16.89 105.241 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.11 125.72 53.82 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.511 -1.368 . . . . 39.66 108.743 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.79 37.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 121.829 2.104 . . . . 18.55 115.911 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.47 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.315 -0.994 . . . . 15.34 108.315 169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.542 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -69.49 145.11 57.68 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.104 2.536 . . . . 20.98 114.658 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.26 37.26 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.31 -9.33 59.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.972 1.471 . . . . 28.85 114.972 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.62 15.64 66.63 Favored Glycine 0 CA--C 1.524 0.644 0 O-C-N 121.649 -0.657 . . . . 19.67 114.384 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.57 0.72 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 119.441 1.621 . . . . 98.27 112.166 -174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.401 1.08 . . . . 20.68 112.317 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-O 115.665 -2.112 . . . . 22.03 108.428 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.554 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.98 145.8 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.734 2.956 . . . . 27.68 111.288 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.93 153.21 21.71 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 105.898 -1.89 . . . . 88.66 105.898 170.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.47 132.78 45.27 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 108.093 -1.077 . . . . 99.06 108.093 171.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-O 118.511 -1.161 . . . . 28.49 112.596 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.53 151.76 30.54 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 121.156 2.478 . . . . 35.54 109.785 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 125.299 1.624 . . . . 23.17 109.16 170.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 107.696 -1.224 . . . . 17.72 107.696 172.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 106.424 -1.695 . . . . 14.36 106.424 177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.39 157.46 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 121.624 -0.673 . . . . 11.27 112.16 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.01 144.2 37.31 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.5 155.59 44.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.489 0.662 . . . . 14.55 112.411 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 104.108 -2.553 . . . . 14.19 104.108 166.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.55 142.01 16.92 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.442 -1.063 . . . . 15.91 110.442 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.33 43.77 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.973 0.892 . . . . 33.26 109.393 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.84 142.6 44.14 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.313 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.68 120.14 6.82 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.7 1.591 . . . . 72.56 109.464 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.53 23.4 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 124.491 2.091 . . . . 71.74 115.721 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.778 -2.465 . . . . 48.7 111.029 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.73 43.77 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 110.907 -2.646 . . . . 83.47 110.697 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.8 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 108.323 -0.991 . . . . 73.09 108.323 160.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.87 -18.2 11.84 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 118.5 -0.762 . . . . 20.97 111.067 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.53 15.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 121.762 2.074 . . . . 22.26 113.381 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.77 7.56 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.6 -1.63 . . . . 23.31 106.6 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.26 -19.83 60.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 120.176 -0.61 . . . . 19.07 111.279 172.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.37 95.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 120.698 -1.251 . . . . 50.14 110.939 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.38 61.64 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 124.226 1.965 . . . . 77.19 112.387 174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.29 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 111.407 -2.633 . . . . 68.77 112.612 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.05 13.5 3.8 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.895 0.878 . . . . 92.53 111.405 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.2 129.29 24.54 Favored Pre-proline 0 CA--C 1.54 0.587 0 O-C-N 120.326 -1.483 . . . . 86.18 108.111 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.13 152.57 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.665 2.91 . . . . 32.99 107.742 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.01 140.6 29.74 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.332 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.447 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.32 51.78 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.541 -1.652 . . . . 31.31 106.541 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.63 158.85 44.42 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.985 -1.007 . . . . 24.29 108.449 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.06 44.58 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.422 1.106 . . . . 52.57 108.384 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.38 137.01 52.46 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 114.013 -1.449 . . . . 23.88 108.49 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.9 -5.58 83.25 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-O 117.66 -1.633 . . . . 41.17 114.739 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.23 9.9 34.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 121.366 2.583 . . . . 79.21 115.086 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.5 12.96 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.775 2.139 . . . . 66.86 116.775 -171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.59 61.83 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 120.739 -1.226 . . . . 26.18 112.489 173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.49 167.51 18.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.762 0.792 . . . . 13.3 110.51 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.51 153.69 2.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.988 0.899 . . . . 11.35 112.648 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.6 74.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.38 1.622 . . . . 64.64 115.38 -173.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.06 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.795 -1.003 . . . . 12.57 113.841 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.15 48.32 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 118.267 -0.873 . . . . 14.82 108.724 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.0 -45.69 82.82 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.577 1.081 . . . . 44.5 112.042 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.95 -34.11 39.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.07 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.545 -0.622 . . . . 14.21 111.545 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.55 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.457 0.54 . . . . 13.3 112.457 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.86 45.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 116.151 1.908 . . . . 11.35 116.151 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.41 13.32 33.68 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 120.413 -1.429 . . . . 18.89 111.681 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.47 146.97 27.32 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.368 -1.345 . . . . 14.13 107.368 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 119.634 -0.826 . . . . 15.47 112.372 172.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.87 130.7 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 118.468 0.577 . . . . 22.97 109.835 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.71 61.53 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.48 1.113 . . . . 16.68 113.135 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.97 144.39 45.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 121.827 -0.807 . . . . 16.0 109.454 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.18 130.64 56.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.81 44.49 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 122.35 1.072 . . . . 11.91 113.589 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.95 35.17 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 104.253 -2.499 . . . . 40.73 104.253 171.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 117.976 -1.011 . . . . 26.74 108.484 175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.2 123.94 48.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 121.391 1.905 . . . . 13.86 107.424 172.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-O 123.562 1.649 . . . . 11.09 107.439 -167.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.719 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.56 158.43 86.4 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.004 -1.474 . . . . 15.98 108.445 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.23 -36.42 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.967 0 C-N-CA 125.023 3.815 . . . . 16.36 112.668 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.09 -15.23 63.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.217 1.191 . . . . 25.87 114.217 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.15 38.91 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 121.349 -0.844 . . . . 40.19 111.227 174.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.62 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.48 -2.045 . . . . 14.63 105.48 -174.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.51 2.68 26.41 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 116.981 -3.574 . . . . 14.49 114.802 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.38 -10.81 59.75 Favored 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 118.548 -1.261 . . . . 19.9 112.03 -172.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.897 -1.752 . . . . 46.16 112.037 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.52 54.64 Favored Glycine 0 CA--C 1.533 1.213 0 N-CA-C 108.69 -1.764 . . . . 15.03 108.69 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.28 37.24 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 103.815 -2.661 . . . . 16.17 103.815 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.01 127.09 14.23 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.675 3.583 . . . . 47.23 114.891 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.69 28.0 Favored Glycine 0 N--CA 1.437 -1.245 0 CA-C-N 114.124 -1.398 . . . . 25.36 112.719 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.478 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.8 -56.81 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 120.767 2.284 . . . . 20.7 109.059 -167.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.54 31.66 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 119.189 -2.194 . . . . 20.63 105.503 -170.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 163.01 39.87 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 124.58 3.52 . . . . 23.63 112.32 176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.29 142.68 56.13 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.874 3.049 . . . . 17.49 110.199 168.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.12 37.24 21.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 112.806 -1.997 . . . . 28.26 112.117 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.57 35.62 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 120.165 1.348 . . . . 16.1 112.656 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.04 133.03 35.26 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 107.888 -1.152 . . . . 15.74 107.888 167.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 139.99 48.74 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.776 -1.194 . . . . 14.61 107.776 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.18 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-O 122.052 0.93 . . . . 14.46 109.063 169.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.7 140.01 50.25 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.912 -1.04 . . . . 14.6 110.939 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.82 31.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.681 -1.97 . . . . 15.34 105.681 166.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.08 130.82 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 120.468 1.485 . . . . 15.13 107.692 -172.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.85 118.17 31.28 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.226 -1.027 . . . . 35.49 108.226 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.17 102.83 14.24 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 123.067 1.413 . . . . 17.35 108.273 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.97 41.96 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.842 -176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.93 6.45 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.41 49.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.054 -1.461 . . . . 28.26 107.054 172.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 108.159 -1.052 . . . . 62.18 108.159 171.454 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.902 0 CA-C-O 124.859 2.266 . . . . 73.77 115.603 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.51 113.51 20.86 Favored 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.03 141.24 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.534 1 C-N-CA 110.025 -4.67 . . . . 39.45 109.944 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . 0.266 24.8 mt -74.18 153.57 39.44 Favored 'General case' 0 C--O 1.257 1.467 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.625 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.48 -29.74 69.92 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 115.958 -1.972 . . . . 34.48 108.487 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.15 69.91 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.555 3.542 . . . . 53.71 109.111 173.525 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.63 -40.51 66.37 Favored 'General case' 0 C--N 1.376 1.718 0 O-C-N 119.83 -1.794 . . . . 63.11 109.884 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.5 ttm -71.21 -40.2 71.28 Favored 'General case' 1 N--CA 1.57 5.552 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.21 -166.992 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.79 -37.01 85.15 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.311 1.597 . . . . 29.05 115.311 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.59 78.26 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.939 -1.504 . . . . 35.1 106.939 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.51 -41.64 88.54 Favored 'General case' 0 C--O 1.276 2.493 0 N-CA-C 114.167 1.173 . . . . 61.75 114.167 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.55 -44.2 95.46 Favored Glycine 0 C--O 1.181 -3.188 0 CA-C-O 116.471 -2.294 . . . . 29.17 112.607 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -63.99 -43.9 94.27 Favored 'General case' 0 C--O 1.285 2.931 0 O-C-N 125.132 1.136 . . . . 25.27 108.731 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.31 -47.58 81.14 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 128.695 2.798 . . . . 49.28 109.368 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.821 1.326 . . . . 58.72 110.349 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.43 83.16 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 117.061 -1.447 . . . . 26.56 107.763 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.08 76.1 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 116.84 -1.944 . . . . 29.49 115.324 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.87 96.61 Favored 'General case' 0 C--O 1.297 3.573 0 C-N-CA 116.922 -1.911 . . . . 86.67 114.668 174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.61 -40.32 91.41 Favored 'General case' 0 N--CA 1.435 -1.206 0 O-C-N 119.136 -2.227 . . . . 37.87 114.438 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.85 1.83 Allowed 'General case' 0 CA--C 1.595 2.706 0 CA-C-O 116.706 -1.616 . . . . 39.32 107.157 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.92 65.07 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 115.88 1.807 . . . . 37.26 115.88 -174.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.34 -53.11 3.97 Favored Glycine 0 N--CA 1.409 -3.123 0 C-N-CA 126.266 1.889 . . . . 50.14 109.091 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.72 -6.48 46.09 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 118.991 2.96 . . . . 83.84 118.991 -174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.93 32.8 20.46 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.676 -1.154 . . . . 55.11 110.158 -171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -106.68 93.24 4.47 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 124.629 1.206 . . . . 34.24 111.842 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.86 -42.18 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.004 1.721 . . . . 33.92 107.027 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -54.0 -42.19 68.79 Favored 'General case' 0 C--O 1.278 2.586 0 C-N-CA 116.022 -2.271 . . . . 74.08 112.242 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.94 -42.54 59.78 Favored Glycine 1 C--O 1.104 -8.026 0 N-CA-C 107.101 -2.4 . . . . 26.89 107.101 -173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.28 -40.7 71.34 Favored 'General case' 0 C--O 1.283 2.848 0 O-C-N 118.625 -2.691 . . . . 31.12 116.239 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.24 -44.75 82.85 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 115.491 -2.195 . . . . 36.8 112.205 172.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.26 -41.39 72.15 Favored 'General case' 0 N--CA 1.408 -2.567 1 O-C-N 129.626 4.329 . . . . 55.15 110.566 -178.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.4 t -66.56 -48.72 79.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-O 116.213 -1.851 . . . . 28.85 113.376 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.16 -27.32 56.94 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 120.865 1.666 . . . . 32.61 111.181 -172.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.389 0 CA-C-N 121.231 1.832 . . . . 77.99 115.815 -173.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -72.0 -27.14 17.68 Favored 'Trans proline' 0 N--CA 1.443 -1.454 0 C-N-CA 123.992 3.128 . . . . 37.5 110.678 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.22 -46.77 66.58 Favored 'General case' 0 C--O 1.29 3.192 0 C-N-CA 113.987 -3.085 . . . . 38.03 111.465 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.65 -38.74 85.86 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 117.296 -1.762 . . . . 28.46 111.985 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.16 0 CA-C-O 115.07 -2.395 . . . . 33.73 108.4 -175.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.955 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.3 ttp -61.96 -42.98 99.73 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 114.409 -2.917 . . . . 83.57 115.774 169.217 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.424 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.219 -0.528 1 O-C-N 116.013 -4.179 . . . . 45.57 109.44 173.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 124.944 1.403 . . . . 75.24 112.957 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.49 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.66 74.49 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.167 -2.349 . . . . 91.25 111.121 179.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.35 12.18 Favored Glycine 0 N--CA 1.463 0.478 0 CA-C-N 121.805 2.093 . . . . 53.21 112.573 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.9 141.6 40.98 Favored 'Trans proline' 0 N--CA 1.419 -2.897 0 C-N-CA 123.316 2.677 . . . . 40.63 111.867 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.7 1.01 9.39 Favored 'General case' 1 C--O 1.139 -4.761 0 O-C-N 118.028 -2.92 . . . . 76.62 115.329 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.2 p -126.14 163.1 23.85 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 120.116 -1.615 . . . . 36.06 111.456 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.77 -45.13 86.38 Favored 'General case' 0 N--CA 1.516 2.861 0 O-C-N 119.784 -1.823 . . . . 38.7 109.13 175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.14 -32.11 73.56 Favored 'General case' 0 C--O 1.304 3.961 0 C-N-CA 127.236 2.214 . . . . 50.36 110.894 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.75 67.22 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-O 124.996 2.332 . . . . 33.39 107.345 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.28 Favored 'General case' 0 C--N 1.38 1.927 0 CA-C-N 113.239 -1.801 . . . . 39.1 109.36 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.82 65.53 Favored 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 114.956 -2.697 . . . . 32.16 106.419 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.57 -43.66 98.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 120.561 1.528 . . . . 31.86 109.578 174.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.14 -42.04 94.21 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.861 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.32 -44.24 71.89 Favored 'General case' 0 CA--C 1.601 2.91 0 N-CA-C 115.53 1.678 . . . . 28.08 115.53 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.09 -39.14 34.52 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.645 3.091 . . . . 28.68 113.176 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.46 1.4 12.33 Favored 'General case' 0 C--O 1.279 2.633 0 CA-C-O 112.489 -3.625 . . . . 42.11 112.045 -170.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.5 50.67 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.033 2.197 . . . . 31.31 108.588 -167.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.17 94.1 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 117.673 -1.611 . . . . 88.51 112.39 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.8 -43.77 90.62 Favored 'General case' 0 C--O 1.271 2.198 0 O-C-N 120.519 -1.363 . . . . 40.94 110.618 177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.0 -37.36 81.35 Favored 'General case' 0 C--O 1.267 2.006 0 C-N-CA 116.71 -1.996 . . . . 25.06 110.995 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.8 -46.11 90.95 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.888 -1.133 . . . . 63.84 109.204 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.64 85.7 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 117.541 -1.219 . . . . 46.34 113.274 173.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.55 93.96 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 120.0 1.273 . . . . 30.52 108.15 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.39 76.91 Favored 'General case' 0 C--N 1.375 1.716 0 CA-C-O 115.314 -2.279 . . . . 46.04 114.904 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 122.936 2.607 . . . . 79.1 110.096 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.32 -46.35 88.83 Favored 'General case' 0 C--O 1.264 1.829 0 C-N-CA 118.3 -1.36 . . . . 45.28 111.872 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.568 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.44 -45.72 80.64 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 113.599 -3.24 . . . . 37.28 111.113 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -61.93 -32.46 72.86 Favored 'General case' 0 C--O 1.269 2.083 0 O-C-N 119.992 -1.692 . . . . 45.73 109.265 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -41.88 97.09 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 124.535 2.112 . . . . 72.23 113.69 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.34 -39.64 91.33 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.421 -1.718 . . . . 34.96 113.724 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.0 mtt -55.68 -41.74 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 127.499 2.999 . . . . 46.8 108.138 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.36 -39.8 13.18 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.569 -0.9 . . . . 70.07 108.569 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.47 -34.39 58.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 116.937 -3.602 . . . . 41.74 115.379 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.59 15.03 75.28 Favored Glycine 0 N--CA 1.492 2.399 2 O-C-N 114.133 -5.354 . . . . 28.2 111.119 -169.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.56 110.64 22.76 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.666 -176.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.39 -26.47 9.32 Favored 'Isoleucine or valine' 1 C--O 1.317 4.617 0 CA-C-N 124.16 3.164 . . . . 42.78 115.196 -178.999 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.558 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.09 -31.26 66.94 Favored 'General case' 0 N--CA 1.425 -1.709 0 O-C-N 116.356 -3.965 . . . . 73.61 113.512 171.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.75 77.42 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 115.309 -2.557 . . . . 40.58 109.785 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.59 -27.72 61.45 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.232 -1.387 . . . . 43.18 111.669 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.558 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.49 -40.77 96.29 Favored 'General case' 1 N--CA 1.546 4.336 1 C-N-CA 110.025 -4.67 . . . . 44.02 105.442 179.032 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.43 71.29 Favored 'General case' 0 N--CA 1.52 3.068 1 CA-C-O 128.896 4.189 . . . . 58.1 109.893 -171.435 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.89 84.28 Favored 'General case' 1 N--CA 1.539 4.007 1 CA-C-N 108.391 -4.004 . . . . 24.53 110.988 175.757 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.13 -21.77 61.42 Favored 'General case' 0 C--N 1.414 3.402 0 CA-C-O 116.498 -1.715 . . . . 33.52 111.551 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.47 -40.24 81.09 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.178 1.808 . . . . 40.54 108.471 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.32 -37.11 66.27 Favored 'General case' 0 C--O 1.278 2.569 0 CA-C-O 114.273 -2.775 . . . . 30.94 108.831 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.22 -39.69 93.11 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 126.925 2.641 . . . . 25.15 111.134 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.11 -41.13 77.83 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 116.267 -1.825 . . . . 27.38 106.392 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.708 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.78 -46.63 87.09 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 116.704 -1.617 . . . . 51.51 107.969 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.2 t -54.37 -49.71 62.45 Favored 'Isoleucine or valine' 0 C--O 1.265 1.918 0 O-C-N 125.233 1.583 . . . . 24.78 113.097 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.11 90.14 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.175 -1.578 . . . . 29.26 113.4 -175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.447 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.66 -42.29 95.5 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-O 111.758 -3.972 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.708 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.81 -40.37 95.1 Favored 'General case' 0 N--CA 1.505 2.31 1 O-C-N 129.399 4.187 . . . . 86.15 109.975 -178.235 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.76 -28.66 45.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 120.97 -1.081 . . . . 44.12 110.64 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.064 0 C-N-CA 124.544 1.137 . . . . 45.24 111.668 -172.255 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 109.306 -1.517 . . . . 16.11 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.29 129.13 59.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 106.34 -1.726 . . . . 18.43 106.34 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.08 132.79 49.97 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.132 -1.803 . . . . 72.87 106.132 176.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.82 116.31 52.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 121.969 2.168 . . . . 16.89 105.26 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.74 53.89 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.502 -1.374 . . . . 39.66 108.703 176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.83 37.33 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 121.814 2.097 . . . . 18.55 115.908 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.3 mt -91.29 -43.41 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.293 -1.003 . . . . 15.34 108.293 169.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.13 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.536 0 N-CA-C 105.854 -1.906 . . . . 42.67 105.854 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.54 145.11 57.41 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 C-N-CA 123.123 2.549 . . . . 20.98 114.592 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.23 37.2 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 108.936 -1.666 . . . . 24.91 108.936 171.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.36 -9.26 59.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.992 1.478 . . . . 28.85 114.992 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.55 15.64 66.48 Favored Glycine 0 CA--C 1.524 0.608 0 O-C-N 121.694 -0.629 . . . . 19.67 114.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.6 0.72 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.427 1.613 . . . . 98.27 112.211 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.7 15.66 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.328 1.051 . . . . 20.68 112.347 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.37 148.5 39.74 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 115.629 -2.129 . . . . 22.03 108.429 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.04 145.84 96.45 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.725 2.95 . . . . 27.68 111.263 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.19 21.72 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 105.901 -1.888 . . . . 88.66 105.901 170.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.49 132.76 45.31 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.66 -14.18 63.65 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 118.485 -1.175 . . . . 28.49 112.577 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.55 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 121.167 2.484 . . . . 35.54 109.764 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.6 m -83.85 120.47 26.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 125.306 1.629 . . . . 23.17 109.141 170.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.26 35.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 107.71 -1.218 . . . . 17.72 107.71 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.46 57.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 106.396 -1.705 . . . . 14.36 106.396 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.38 157.51 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 O-C-N 121.689 -0.632 . . . . 11.27 112.23 -170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.19 37.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.274 -1.01 . . . . 20.93 108.274 158.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.51 155.55 44.37 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.529 0.681 . . . . 14.55 112.427 178.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.24 47.31 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 104.142 -2.54 . . . . 14.19 104.142 166.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.56 142.09 16.98 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.394 -1.083 . . . . 15.91 110.394 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.35 43.74 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.973 0.892 . . . . 33.26 109.368 173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.92 142.56 43.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.17 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.62 1.555 . . . . 72.56 109.451 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.22 45.52 23.29 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 124.505 2.098 . . . . 71.74 115.742 -172.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.56 6.77 Favored Glycine 0 N--CA 1.438 -1.187 0 CA-C-N 111.734 -2.485 . . . . 48.7 111.034 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.67 135.69 43.74 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 110.899 -2.65 . . . . 83.47 110.727 -168.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.51 40.1 Favored 'General case' 0 N--CA 1.461 0.079 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.84 -18.19 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.531 -0.747 . . . . 20.97 111.064 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.24 151.52 15.71 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 121.74 2.063 . . . . 22.26 113.322 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.4 128.68 7.54 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 106.551 -1.648 . . . . 23.31 106.551 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.14 -19.89 61.04 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.193 -0.603 . . . . 19.07 111.33 172.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.71 -41.39 96.03 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 120.734 -1.229 . . . . 50.14 110.93 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.71 -41.49 61.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 124.271 1.986 . . . . 77.19 112.383 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.27 -7.77 59.63 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 111.324 -2.671 . . . . 68.77 112.591 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 59.98 13.58 3.79 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.846 0.858 . . . . 92.53 111.44 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.23 24.57 Favored Pre-proline 0 C--O 1.24 0.6 0 O-C-N 120.306 -1.496 . . . . 86.18 108.198 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.06 152.51 40.59 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.736 2.957 . . . . 32.99 107.753 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.63 29.69 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 112.043 -2.344 . . . . 21.39 106.366 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.46 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.39 51.76 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 106.495 -1.669 . . . . 31.31 106.495 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.8 44.39 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.92 -1.036 . . . . 24.29 108.445 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.07 44.53 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 122.402 1.096 . . . . 52.57 108.376 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.97 52.34 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 114.041 -1.436 . . . . 23.88 108.523 -175.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.74 83.01 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 117.674 -1.626 . . . . 41.17 114.738 173.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.86 34.18 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 121.333 2.566 . . . . 79.21 115.139 -178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 51.71 34.42 12.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.843 2.164 . . . . 66.86 116.843 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.19 -29.55 61.8 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 120.756 -1.215 . . . . 26.18 112.471 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.44 167.51 18.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-O 121.732 0.777 . . . . 13.3 110.495 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.72 2.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 122.034 0.921 . . . . 11.35 112.623 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.61 74.49 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 115.341 1.608 . . . . 64.64 115.341 -173.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.5 76.81 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-O 118.853 -0.97 . . . . 12.57 113.916 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.16 48.26 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-O 118.291 -0.861 . . . . 14.82 108.756 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.74 82.75 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.54 1.064 . . . . 44.5 112.026 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.94 -34.01 39.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 114.171 1.174 . . . . 52.63 114.171 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.87 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.514 -0.634 . . . . 14.21 111.514 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.22 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 112.406 0.521 . . . . 13.3 112.406 -177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.82 44.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 116.197 1.925 . . . . 11.35 116.197 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.27 33.86 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.43 -1.419 . . . . 18.89 111.721 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.94 27.34 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.472 -1.307 . . . . 14.13 107.472 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.6 p -101.42 163.19 12.4 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 119.628 -0.829 . . . . 15.47 112.398 172.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.476 0.58 . . . . 22.97 109.895 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.497 1.123 . . . . 16.68 113.174 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.38 45.31 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.808 -0.819 . . . . 16.0 109.411 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.72 56.28 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 105.992 -1.855 . . . . 19.71 105.992 168.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.01 151.76 44.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 122.388 1.09 . . . . 11.91 113.587 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.25 121.91 35.11 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 104.244 -2.502 . . . . 40.73 104.244 171.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.69 119.89 40.05 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 117.946 -1.026 . . . . 26.74 108.465 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.24 124.01 48.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 121.409 1.913 . . . . 13.86 107.382 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.66 125.12 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-O 123.493 1.616 . . . . 11.09 107.396 -167.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.61 158.41 86.36 Favored Pre-proline 0 CA--C 1.514 -0.406 0 CA-C-O 116.95 -1.5 . . . . 15.98 108.515 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.19 -36.37 99.08 Favored 'Trans proline' 0 CA--C 1.505 -0.966 0 C-N-CA 124.984 3.789 . . . . 16.36 112.731 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.12 63.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.202 1.186 . . . . 25.87 114.202 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.02 38.89 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.355 -0.841 . . . . 40.19 111.238 174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.49 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 105.54 -2.022 . . . . 14.63 105.54 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.46 2.63 26.48 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 117.074 -3.516 . . . . 14.49 114.867 -174.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 115.313 0.885 . . . . 13.72 115.313 165.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.32 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.055 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 119.915 -1.741 . . . . 46.16 112.038 -178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.89 -169.59 54.67 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 108.716 -1.754 . . . . 15.03 108.716 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.55 110.29 37.4 Favored Pre-proline 0 N--CA 1.438 -1.039 0 N-CA-C 103.789 -2.671 . . . . 16.17 103.789 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -48.02 127.02 14.14 Favored 'Trans proline' 0 CA--C 1.516 -0.422 0 C-N-CA 124.731 3.62 . . . . 47.23 114.839 -170.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.13 -20.64 28.4 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.11 -1.405 . . . . 25.36 112.673 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.785 2.293 . . . . 20.7 109.046 -167.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.62 124.58 31.56 Favored Pre-proline 0 N--CA 1.466 0.341 0 O-C-N 119.219 -2.175 . . . . 20.63 105.472 -170.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.9 40.33 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.651 3.567 . . . . 23.63 112.339 176.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.23 142.63 55.59 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.817 3.011 . . . . 17.49 110.253 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.17 37.23 20.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 112.764 -2.016 . . . . 28.26 112.12 172.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.05 133.55 35.64 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.197 1.362 . . . . 16.1 112.651 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.01 133.0 35.26 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.916 -1.142 . . . . 15.74 107.916 167.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.95 48.79 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.741 -1.207 . . . . 14.61 107.741 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.52 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.059 0.933 . . . . 14.46 109.079 169.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.68 140.0 50.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.951 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.8 31.24 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.701 -1.963 . . . . 15.34 105.701 166.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.09 130.78 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 120.479 1.491 . . . . 15.13 107.688 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.18 31.32 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 108.222 -1.029 . . . . 35.49 108.222 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.22 102.81 14.27 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.146 1.45 . . . . 17.35 108.241 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.42 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 113.311 -1.768 . . . . 26.84 114.891 -176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.85 6.3 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 106.992 -1.485 . . . . 74.94 106.992 -163.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.004 -1.48 . . . . 28.26 107.004 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.413 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.881 0 CA-C-O 124.873 2.273 . . . . 73.77 115.59 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.51 20.88 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 102.483 -3.154 . . . . 35.3 102.483 -172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.25 15.0 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 1 C-N-CA 109.917 -4.713 . . . . 39.45 109.895 173.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.18 153.54 39.46 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.76 -172.577 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.57 69.7 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.929 -1.986 . . . . 34.48 108.502 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.16 69.98 Favored 'General case' 0 C--N 1.287 -2.135 0 C-N-CA 130.567 3.547 . . . . 53.71 109.188 173.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.66 -40.57 66.22 Favored 'General case' 0 C--N 1.376 1.74 0 O-C-N 119.8 -1.813 . . . . 63.11 109.814 -175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.12 -40.28 71.54 Favored 'General case' 1 N--CA 1.57 5.543 0 C-N-CA 112.111 -3.836 . . . . 48.7 103.224 -166.965 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.68 -37.14 85.67 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 115.327 1.603 . . . . 29.05 115.327 176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.68 -46.6 78.46 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 106.981 -1.489 . . . . 35.1 106.981 -176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.55 -41.51 88.56 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.54 -44.3 95.33 Favored Glycine 0 CA--C 1.565 3.178 0 CA-C-O 116.457 -2.301 . . . . 29.17 112.566 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.92 -44.08 93.99 Favored 'General case' 0 C--O 1.285 2.938 0 O-C-N 125.228 1.193 . . . . 25.27 108.62 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.53 81.17 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.664 2.786 . . . . 49.28 109.342 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.24 -42.79 65.26 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 124.773 1.295 . . . . 58.72 110.382 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.39 83.26 Favored 'General case' 0 CA--C 1.57 1.726 0 CA-C-O 117.063 -1.446 . . . . 26.56 107.774 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.0 p -59.84 -36.03 75.99 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.888 -1.925 . . . . 29.49 115.431 174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.4 -43.76 96.59 Favored 'General case' 0 C--O 1.297 3.557 0 C-N-CA 116.787 -1.965 . . . . 86.67 114.705 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.56 -40.41 91.51 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.116 -2.24 . . . . 37.87 114.45 175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.31 -61.75 1.85 Allowed 'General case' 0 CA--C 1.595 2.696 0 CA-C-O 116.646 -1.645 . . . . 39.32 107.24 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.66 -38.02 65.1 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 115.787 1.773 . . . . 37.26 115.787 -174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.32 -53.13 3.97 Favored Glycine 0 N--CA 1.409 -3.166 0 C-N-CA 126.333 1.921 . . . . 50.14 109.129 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.61 -6.7 45.91 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 118.967 2.951 . . . . 83.84 118.967 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.15 32.71 20.66 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.737 -1.125 . . . . 55.11 110.147 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -106.66 93.13 4.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 124.531 1.144 . . . . 34.24 111.909 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.7 t -72.71 -42.23 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.02 1.728 . . . . 33.92 106.974 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.9 -42.35 68.61 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.139 -2.224 . . . . 74.08 112.175 177.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.79 -42.63 60.94 Favored Glycine 1 C--O 1.103 -8.082 0 N-CA-C 107.067 -2.413 . . . . 26.89 107.067 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.42 -40.55 71.62 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 118.508 -2.76 . . . . 31.12 116.256 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.578 -2.153 . . . . 36.8 112.257 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.19 -41.62 72.17 Favored 'General case' 0 N--CA 1.408 -2.545 1 O-C-N 129.571 4.295 . . . . 55.15 110.505 -178.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.48 -48.73 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-O 116.136 -1.888 . . . . 28.85 113.375 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.19 -27.23 56.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 120.898 1.681 . . . . 32.61 111.179 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.31 58.81 Favored Pre-proline 0 N--CA 1.506 2.343 0 CA-C-N 121.29 1.859 . . . . 77.99 115.877 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.9 Cg_endo -71.95 -27.27 17.67 Favored 'Trans proline' 0 N--CA 1.443 -1.451 0 C-N-CA 124.054 3.169 . . . . 37.5 110.672 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.03 -46.74 67.16 Favored 'General case' 0 C--O 1.289 3.159 0 C-N-CA 113.984 -3.086 . . . . 38.03 111.625 176.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.75 -38.65 85.91 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 117.182 -1.807 . . . . 28.46 112.091 175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.32 84.0 Favored 'General case' 1 N--CA 1.543 4.21 0 CA-C-O 115.019 -2.419 . . . . 33.73 108.403 -175.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.93 -42.97 99.71 Favored 'General case' 0 C--O 1.269 2.116 0 C-N-CA 114.484 -2.886 . . . . 83.57 115.761 169.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.97 -44.77 78.81 Favored 'General case' 0 C--O 1.22 -0.482 1 O-C-N 116.016 -4.178 . . . . 45.57 109.397 173.021 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.82 Favored 'General case' 0 C--O 1.256 1.408 0 O-C-N 124.971 1.419 . . . . 75.24 112.892 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.73 74.59 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.108 -2.377 . . . . 91.25 111.053 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.37 12.13 Favored Glycine 0 N--CA 1.464 0.507 0 CA-C-N 121.905 2.138 . . . . 53.21 112.614 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.56 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.903 0 C-N-CA 123.371 2.714 . . . . 40.63 111.823 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 1.07 9.4 Favored 'General case' 1 C--O 1.14 -4.701 0 O-C-N 118.011 -2.93 . . . . 76.62 115.321 174.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.16 163.07 23.94 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 120.196 -1.565 . . . . 36.06 111.446 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.7 -45.2 86.02 Favored 'General case' 0 N--CA 1.518 2.943 0 O-C-N 119.811 -1.806 . . . . 38.7 109.092 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.831 0 C-N-CA 127.178 2.191 . . . . 50.36 110.972 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -72.76 -38.81 67.21 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-O 125.042 2.353 . . . . 33.39 107.386 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.28 -41.15 81.41 Favored 'General case' 0 C--N 1.381 1.937 0 CA-C-N 113.164 -1.834 . . . . 39.1 109.401 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.48 -34.92 65.58 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.39 -175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.43 -43.66 98.48 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 120.495 1.498 . . . . 31.86 109.741 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.17 94.6 Favored 'General case' 0 C--O 1.256 1.428 0 C-N-CA 119.594 -0.842 . . . . 38.09 111.882 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.2 -44.25 71.45 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.533 1.679 . . . . 28.08 115.533 171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.11 34.4 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.611 3.07 . . . . 28.68 113.113 -176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.37 1.33 12.37 Favored 'General case' 0 C--O 1.281 2.719 0 CA-C-O 112.496 -3.621 . . . . 42.11 112.086 -170.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.29 -50.46 50.51 Favored Glycine 0 C--O 1.168 -3.987 0 CA-C-N 122.049 2.204 . . . . 31.31 108.566 -167.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.1 94.41 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.617 -1.633 . . . . 88.51 112.38 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.65 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.91 -43.74 91.11 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 120.555 -1.341 . . . . 40.94 110.654 177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.07 -37.22 81.01 Favored 'General case' 0 C--O 1.268 2.06 0 C-N-CA 116.617 -2.033 . . . . 25.06 111.035 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.74 -46.17 90.75 Favored 'General case' 0 CA--C 1.557 1.235 0 O-C-N 120.747 -1.22 . . . . 63.84 109.221 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.46 -41.64 85.66 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.585 -1.198 . . . . 46.34 113.289 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.45 94.56 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 120.054 1.297 . . . . 30.52 108.157 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.33 -38.54 77.34 Favored 'General case' 0 C--N 1.375 1.699 0 CA-C-O 115.285 -2.293 . . . . 46.04 114.845 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.49 -41.95 99.16 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 122.903 2.592 . . . . 79.1 110.154 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.7 m95 -59.42 -46.32 89.05 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.811 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.46 -45.65 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.062 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.08 -32.32 72.84 Favored 'General case' 0 C--O 1.27 2.156 0 O-C-N 119.972 -1.705 . . . . 45.73 109.237 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.86 -42.0 97.02 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 124.516 2.103 . . . . 72.23 113.751 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.61 90.98 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 113.371 -1.741 . . . . 34.96 113.901 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.62 -41.84 74.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.433 2.958 . . . . 46.8 108.092 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.33 -39.75 13.24 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.571 -0.9 . . . . 70.07 108.571 -173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.39 -34.56 58.85 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 116.942 -3.599 . . . . 41.74 115.401 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.53 15.07 75.17 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.164 -5.335 . . . . 28.2 111.17 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.59 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 112.861 -3.447 . . . . 61.4 109.666 -176.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.33 -26.48 9.12 Favored 'Isoleucine or valine' 1 C--O 1.317 4.615 0 CA-C-N 124.204 3.184 . . . . 42.78 115.208 -179.0 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.31 66.92 Favored 'General case' 0 N--CA 1.423 -1.783 0 O-C-N 116.377 -3.952 . . . . 73.61 113.579 171.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.26 -36.75 77.44 Favored 'General case' 0 C--O 1.266 1.929 0 C-N-CA 115.185 -2.606 . . . . 40.58 109.809 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.47 -27.86 61.63 Favored 'General case' 0 C--O 1.292 3.306 0 C-N-CA 118.319 -1.352 . . . . 43.18 111.618 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.38 -40.77 96.47 Favored 'General case' 1 N--CA 1.543 4.207 1 C-N-CA 110.073 -4.651 . . . . 44.02 105.597 179.016 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.4 mm100 -59.45 -33.54 71.41 Favored 'General case' 0 N--CA 1.522 3.147 1 CA-C-O 128.892 4.187 . . . . 58.1 109.816 -171.469 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.86 84.18 Favored 'General case' 0 N--CA 1.539 3.98 0 CA-C-N 108.459 -3.973 . . . . 24.53 110.976 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.04 -21.89 61.47 Favored 'General case' 0 C--N 1.414 3.394 0 CA-C-O 116.461 -1.733 . . . . 33.52 111.517 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.39 -40.31 81.4 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 121.219 1.827 . . . . 40.54 108.508 177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.28 -37.08 66.38 Favored 'General case' 0 C--O 1.28 2.685 0 CA-C-O 114.301 -2.761 . . . . 30.94 108.82 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.21 -39.66 93.11 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 126.855 2.597 . . . . 25.15 111.144 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.17 -41.04 77.72 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 116.225 -1.845 . . . . 27.38 106.473 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.713 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.2 t60 -58.82 -46.71 87.0 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 117.699 -1.6 . . . . 51.51 107.948 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.73 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 O-C-N 125.176 1.548 . . . . 24.78 113.144 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.57 -43.19 89.32 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.214 -1.554 . . . . 29.26 113.508 -175.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.66 -42.23 95.53 Favored 'General case' 0 N--CA 1.406 -2.629 0 CA-C-O 111.79 -3.957 . . . . 39.22 109.434 176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.713 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.74 -40.42 95.29 Favored 'General case' 0 N--CA 1.504 2.234 1 O-C-N 129.316 4.135 . . . . 86.15 109.994 -178.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.69 -28.72 45.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 O-C-N 120.964 -1.085 . . . . 44.12 110.669 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.269 2.09 0 C-N-CA 124.567 1.147 . . . . 45.24 111.66 -172.217 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.07 59.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -103.99 132.78 49.9 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.125 -1.806 . . . . 72.87 106.125 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.79 116.34 52.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 122.001 2.182 . . . . 16.89 105.224 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.13 125.76 53.84 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.523 -1.361 . . . . 39.66 108.758 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.87 128.76 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 121.846 2.112 . . . . 18.55 115.904 -174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.5 mt -91.2 -43.45 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.359 -0.978 . . . . 15.34 108.359 169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.846 -1.909 . . . . 42.67 105.846 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.44 145.13 58.04 Favored 'Trans proline' 0 N--CA 1.442 -1.526 0 C-N-CA 123.088 2.525 . . . . 20.98 114.658 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.24 37.27 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 108.877 -1.689 . . . . 24.91 108.877 171.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.31 -9.31 59.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 121.656 -0.653 . . . . 19.67 114.411 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.458 1.629 . . . . 98.27 112.269 -174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.04 103.63 15.59 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.388 1.075 . . . . 20.68 112.364 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.35 148.46 39.66 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-O 115.608 -2.139 . . . . 22.03 108.438 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.89 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.666 2.91 . . . . 27.68 111.276 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -105.0 153.16 21.82 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 105.869 -1.9 . . . . 88.66 105.869 170.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.72 45.08 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.156 -1.053 . . . . 99.06 108.156 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.71 -14.22 63.62 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-O 118.503 -1.165 . . . . 28.49 112.55 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.47 151.77 30.63 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 121.147 2.474 . . . . 35.54 109.81 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.81 120.45 26.06 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 125.321 1.638 . . . . 23.17 109.121 170.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.26 35.33 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 107.73 -1.211 . . . . 17.72 107.73 172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.73 118.37 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.428 -1.693 . . . . 14.36 106.428 177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.53 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 121.628 -0.67 . . . . 11.27 112.163 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.23 37.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.283 -1.006 . . . . 20.93 108.283 158.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.55 155.53 44.33 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.563 0.696 . . . . 14.55 112.381 178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.9 m -129.08 132.27 47.41 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 104.112 -2.551 . . . . 14.19 104.112 166.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.57 142.04 16.93 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.38 157.31 43.76 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 121.963 0.887 . . . . 33.26 109.422 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.51 44.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 117.222 -1.37 . . . . 36.95 107.303 173.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.12 6.72 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 120.667 1.576 . . . . 72.56 109.528 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.49 23.51 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 124.479 2.085 . . . . 71.74 115.701 -172.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 111.742 -2.481 . . . . 48.7 111.041 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.58 135.7 43.92 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.943 -2.628 . . . . 83.47 110.724 -168.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.311 -0.996 . . . . 73.09 108.311 160.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.76 -18.29 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.58 -0.724 . . . . 20.97 111.127 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.87 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 121.669 2.031 . . . . 22.26 113.359 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.75 7.55 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.53 -1.656 . . . . 23.31 106.53 174.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.224 -0.591 . . . . 19.07 111.309 172.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.38 96.05 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.744 -1.222 . . . . 50.14 110.918 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.81 -41.44 61.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.227 1.965 . . . . 77.19 112.345 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.77 59.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 111.382 -2.645 . . . . 68.77 112.557 -174.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.98 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.862 0.865 . . . . 92.53 111.496 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.16 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 120.289 -1.507 . . . . 86.18 108.159 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.15 152.55 40.21 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.67 2.913 . . . . 32.99 107.738 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.03 140.63 29.71 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.326 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.38 51.76 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 106.497 -1.668 . . . . 31.31 106.497 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.68 158.8 44.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.002 -0.999 . . . . 24.29 108.504 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.01 44.55 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 122.451 1.119 . . . . 52.57 108.401 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.06 52.37 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.976 -1.466 . . . . 23.88 108.463 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.1 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 117.7 -1.611 . . . . 41.17 114.768 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.87 34.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 121.331 2.565 . . . . 79.21 115.078 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.69 34.5 12.98 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.785 2.142 . . . . 66.86 116.785 -171.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.6 61.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.698 -1.251 . . . . 26.18 112.5 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.48 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.739 0.78 . . . . 13.3 110.48 -174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 122.049 0.928 . . . . 11.35 112.633 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.36 -38.65 74.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 115.353 1.612 . . . . 64.64 115.353 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.55 76.75 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-O 118.863 -0.965 . . . . 12.57 113.906 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.2 48.12 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 118.296 -0.859 . . . . 14.82 108.725 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.78 82.44 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.514 1.052 . . . . 44.5 112.071 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.87 -34.06 39.56 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 114.211 1.189 . . . . 52.63 114.211 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.76 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.515 -0.634 . . . . 14.21 111.515 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.53 -33.2 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.419 0.526 . . . . 13.3 112.419 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.22 -24.86 44.93 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 116.172 1.916 . . . . 11.35 116.172 175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.31 33.68 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 120.404 -1.435 . . . . 18.89 111.705 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.43 146.93 27.36 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.426 -1.324 . . . . 14.13 107.426 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.586 -0.845 . . . . 15.47 112.362 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.91 130.7 22.61 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 118.417 0.553 . . . . 22.97 109.814 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.83 -14.73 61.47 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.484 1.115 . . . . 16.68 113.077 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.34 45.49 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.784 -0.833 . . . . 16.0 109.475 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.16 130.65 56.22 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.78 44.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 122.384 1.088 . . . . 11.91 113.587 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.93 35.17 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 104.207 -2.516 . . . . 40.73 104.207 171.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.63 119.8 39.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 117.895 -1.05 . . . . 26.74 108.48 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.23 123.99 48.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.442 1.928 . . . . 13.86 107.41 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 123.498 1.618 . . . . 11.09 107.393 -167.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.65 158.42 86.29 Favored Pre-proline 0 CA--C 1.515 -0.383 0 CA-C-O 117.018 -1.467 . . . . 15.98 108.427 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.22 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 125.01 3.807 . . . . 16.36 112.691 -175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.18 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 114.203 1.186 . . . . 25.87 114.203 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.12 38.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 121.327 -0.858 . . . . 40.19 111.246 174.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 105.495 -2.039 . . . . 14.63 105.495 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.45 2.61 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 116.99 -3.569 . . . . 14.49 114.825 -174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 115.333 0.893 . . . . 13.72 115.333 165.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.525 -1.27 . . . . 19.9 112.061 -172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.34 13.5 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.885 -1.76 . . . . 46.16 112.03 -178.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.97 -169.6 54.63 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.737 -1.745 . . . . 15.03 108.737 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.31 37.24 Favored Pre-proline 0 N--CA 1.438 -1.041 0 N-CA-C 103.75 -2.685 . . . . 16.17 103.75 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.96 127.01 13.99 Favored 'Trans proline' 0 CA--C 1.514 -0.489 0 C-N-CA 124.737 3.625 . . . . 47.23 114.883 -170.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.15 -20.66 28.35 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.167 -1.378 . . . . 25.36 112.679 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.73 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 120.751 2.275 . . . . 20.7 109.07 -167.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.51 31.71 Favored Pre-proline 0 N--CA 1.466 0.333 0 O-C-N 119.155 -2.216 . . . . 20.63 105.488 -170.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.96 40.05 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 124.633 3.555 . . . . 23.63 112.292 176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.26 142.67 55.75 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.852 3.035 . . . . 17.49 110.188 168.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 112.767 -2.015 . . . . 28.26 112.092 172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.0 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.207 1.367 . . . . 16.1 112.714 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.88 140.03 48.69 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.731 -1.211 . . . . 14.61 107.731 -174.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.63 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 122.094 0.95 . . . . 14.46 109.042 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.72 140.03 50.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.898 -1.047 . . . . 14.6 110.96 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.25 116.79 31.21 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.82 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 120.462 1.483 . . . . 15.13 107.683 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.247 -1.02 . . . . 35.49 108.247 176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.82 14.29 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.089 1.423 . . . . 17.35 108.23 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.53 -45.94 42.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 113.308 -1.769 . . . . 26.84 114.876 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.991 -1.485 . . . . 74.94 106.991 -163.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.4 mt -115.18 140.46 49.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.174 -1.047 . . . . 62.18 108.174 171.456 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.833 0 CA-C-O 124.904 2.288 . . . . 73.77 115.666 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.4 113.47 20.83 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.32 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.852 173.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.9 mt -74.22 153.58 39.39 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 115.031 -2.668 . . . . 43.73 108.648 -172.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.62 69.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 116.003 -1.951 . . . . 34.48 108.573 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.46 -47.21 69.94 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.589 3.556 . . . . 53.71 109.117 173.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.6 -40.66 66.36 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 119.88 -1.763 . . . . 63.11 109.785 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.5 ttm -71.01 -40.4 71.82 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 112.102 -3.839 . . . . 48.7 103.291 -167.004 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.51 -37.22 86.13 Favored 'General case' 0 C--N 1.371 1.519 0 N-CA-C 115.32 1.6 . . . . 29.05 115.32 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.73 -46.57 78.4 Favored 'General case' 0 C--O 1.282 2.772 0 N-CA-C 106.877 -1.527 . . . . 35.1 106.877 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.63 -41.49 88.25 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 114.164 1.172 . . . . 61.75 114.164 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.59 -44.19 95.41 Favored Glycine 0 C--O 1.181 -3.2 0 CA-C-O 116.479 -2.289 . . . . 29.17 112.606 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.98 -44.07 93.83 Favored 'General case' 0 C--O 1.285 2.96 0 O-C-N 125.201 1.177 . . . . 25.27 108.617 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.49 81.2 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 128.614 2.766 . . . . 49.28 109.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.32 -42.72 65.08 Favored 'General case' 0 C--O 1.187 -2.232 0 O-C-N 124.762 1.289 . . . . 58.72 110.37 -176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.37 83.15 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-O 117.106 -1.426 . . . . 26.56 107.794 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.85 -36.17 76.3 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 116.979 -1.889 . . . . 29.49 115.247 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.93 96.48 Favored 'General case' 0 C--O 1.296 3.529 0 C-N-CA 116.901 -1.92 . . . . 86.67 114.633 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.43 -40.47 91.18 Favored 'General case' 0 N--CA 1.434 -1.23 0 O-C-N 119.097 -2.252 . . . . 37.87 114.53 175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.92 1.81 Allowed 'General case' 0 CA--C 1.596 2.748 0 CA-C-O 116.682 -1.627 . . . . 39.32 107.2 -173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.6 -38.06 65.23 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.781 1.771 . . . . 37.26 115.781 -174.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.97 4.01 Favored Glycine 0 N--CA 1.41 -3.08 0 C-N-CA 126.142 1.83 . . . . 50.14 109.106 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.62 -6.64 46.04 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 118.993 2.961 . . . . 83.84 118.993 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.13 32.74 20.71 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 117.734 -1.127 . . . . 55.11 110.118 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.76 93.19 4.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.433 1.083 . . . . 34.24 111.9 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.5 t -72.76 -42.31 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 C-N-CA 126.062 1.745 . . . . 33.92 106.997 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.65 Favored 'General case' 0 C--O 1.278 2.558 0 C-N-CA 116.125 -2.23 . . . . 74.08 112.14 177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.104 -8.002 0 N-CA-C 107.056 -2.418 . . . . 26.89 107.056 -173.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.27 -40.62 71.2 Favored 'General case' 0 C--O 1.283 2.84 0 O-C-N 118.426 -2.808 . . . . 31.12 116.297 172.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.85 82.51 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.157 172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.04 -41.7 71.74 Favored 'General case' 0 N--CA 1.406 -2.649 1 O-C-N 129.593 4.308 . . . . 55.15 110.566 -178.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.9 t -66.4 -48.69 80.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.15 -1.881 . . . . 28.85 113.473 176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.09 -27.41 57.16 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.838 1.654 . . . . 32.61 111.162 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.31 -40.39 59.38 Favored Pre-proline 0 N--CA 1.506 2.34 0 CA-C-N 121.23 1.832 . . . . 77.99 115.816 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -71.91 -27.12 17.98 Favored 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.97 3.113 . . . . 37.5 110.715 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.17 -46.69 66.89 Favored 'General case' 0 C--O 1.288 3.111 0 C-N-CA 113.95 -3.1 . . . . 38.03 111.53 176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.71 -38.76 86.16 Favored 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 117.161 -1.816 . . . . 28.46 111.993 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.3 83.92 Favored 'General case' 1 N--CA 1.543 4.183 0 CA-C-O 115.008 -2.425 . . . . 33.73 108.392 -175.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.5 ttp -62.01 -42.88 99.63 Favored 'General case' 0 C--O 1.269 2.1 0 C-N-CA 114.501 -2.88 . . . . 83.57 115.752 169.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -56.08 -44.61 79.13 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.992 -4.193 . . . . 45.57 109.444 173.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.7 -40.28 62.82 Favored 'General case' 0 C--O 1.256 1.425 0 O-C-N 124.996 1.435 . . . . 75.24 112.924 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.79 74.68 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 115.178 -2.344 . . . . 91.25 111.114 179.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.32 12.09 Favored Glycine 0 N--CA 1.463 0.437 0 CA-C-N 121.761 2.073 . . . . 53.21 112.682 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -70.96 141.55 40.61 Favored 'Trans proline' 0 N--CA 1.419 -2.861 0 C-N-CA 123.326 2.684 . . . . 40.63 111.833 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.62 1.07 9.44 Favored 'General case' 1 C--O 1.138 -4.769 0 O-C-N 118.008 -2.933 . . . . 76.62 115.358 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.2 163.11 23.88 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.18 -1.575 . . . . 36.06 111.404 170.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.88 -45.03 86.99 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 119.667 -1.895 . . . . 38.7 109.098 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.08 -32.13 73.57 Favored 'General case' 0 C--O 1.303 3.904 0 C-N-CA 127.251 2.22 . . . . 50.36 110.985 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.77 -38.77 67.19 Favored 'General case' 0 C--N 1.283 -2.318 0 CA-C-O 125.011 2.338 . . . . 33.39 107.383 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.33 -41.12 81.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.189 -1.823 . . . . 39.1 109.346 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.51 -34.85 65.46 Favored 'General case' 0 N--CA 1.525 3.293 0 C-N-CA 115.011 -2.675 . . . . 32.16 106.438 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.48 -43.68 98.44 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 120.417 1.462 . . . . 31.86 109.616 174.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.18 -42.08 94.0 Favored 'General case' 0 C--O 1.257 1.483 0 C-N-CA 119.692 -0.803 . . . . 38.09 111.73 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.24 71.8 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.56 1.689 . . . . 28.08 115.56 171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.26 34.41 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 127.586 3.054 . . . . 28.68 113.099 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.38 1.38 12.37 Favored 'General case' 0 C--O 1.28 2.69 0 CA-C-O 112.484 -3.627 . . . . 42.11 112.072 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.24 -50.56 50.13 Favored Glycine 0 C--O 1.168 -3.969 0 CA-C-N 121.998 2.181 . . . . 31.31 108.611 -167.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -45.24 93.65 Favored 'General case' 0 C--O 1.257 1.466 0 C-N-CA 117.652 -1.619 . . . . 88.51 112.381 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.77 -43.76 90.47 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.503 -1.373 . . . . 40.94 110.67 177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.5 mt -68.1 -37.23 80.95 Favored 'General case' 0 C--O 1.267 2.019 0 C-N-CA 116.749 -1.98 . . . . 25.06 111.044 -176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.99 -45.96 91.32 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 120.919 -1.113 . . . . 63.84 109.209 175.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.54 -41.61 85.95 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.568 -1.206 . . . . 46.34 113.247 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.52 94.05 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.015 1.279 . . . . 30.52 108.227 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.45 76.95 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 115.469 -2.205 . . . . 46.04 115.006 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.47 -42.1 99.25 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.786 2.539 . . . . 79.1 110.108 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.21 -46.4 88.53 Favored 'General case' 0 C--O 1.263 1.804 0 C-N-CA 118.268 -1.373 . . . . 45.28 111.874 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.566 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.2 m -56.48 -45.67 80.83 Favored 'General case' 0 C--N 1.38 1.934 0 C-N-CA 113.629 -3.228 . . . . 37.28 111.106 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.92 -32.54 72.95 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.041 -1.662 . . . . 45.73 109.197 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.95 -41.87 97.12 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-O 124.372 2.034 . . . . 72.23 113.632 176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.33 -39.55 90.97 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.491 -1.686 . . . . 34.96 113.892 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.566 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 127.554 3.034 . . . . 46.8 108.093 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.43 -39.78 13.15 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.537 -0.912 . . . . 70.07 108.537 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 -34.48 58.78 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 116.944 -3.598 . . . . 41.74 115.385 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.05 75.18 Favored Glycine 0 N--CA 1.493 2.469 2 O-C-N 114.167 -5.333 . . . . 28.2 111.173 -168.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.55 110.64 22.77 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 112.883 -3.437 . . . . 61.4 109.73 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.282 7.2 p -52.42 -26.37 9.23 Favored 'Isoleucine or valine' 1 C--O 1.316 4.601 0 CA-C-N 124.162 3.164 . . . . 42.78 115.229 -178.986 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.39 67.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.416 -3.927 . . . . 73.61 113.513 171.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.73 77.4 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.213 -2.595 . . . . 40.58 109.735 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.42 -27.87 61.68 Favored 'General case' 0 C--O 1.293 3.367 0 C-N-CA 118.303 -1.359 . . . . 43.18 111.68 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.72 96.26 Favored 'General case' 1 N--CA 1.544 4.238 1 C-N-CA 110.068 -4.653 . . . . 44.02 105.556 179.065 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.3 11.5 mm100 -59.36 -33.59 71.35 Favored 'General case' 0 N--CA 1.521 3.114 1 CA-C-O 129.046 4.26 . . . . 58.1 109.953 -171.561 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.92 84.37 Favored 'General case' 0 N--CA 1.538 3.947 1 CA-C-N 108.348 -4.023 . . . . 24.53 110.946 175.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.03 -21.82 61.49 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.51 -1.71 . . . . 33.52 111.619 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.4 81.27 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 121.124 1.784 . . . . 40.54 108.436 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.16 -37.18 66.65 Favored 'General case' 0 C--O 1.278 2.598 0 CA-C-O 114.344 -2.741 . . . . 30.94 108.877 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.18 -39.75 93.33 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 126.938 2.648 . . . . 25.15 111.092 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.12 -41.11 77.83 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 116.253 -1.832 . . . . 27.38 106.487 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.5 t60 -58.81 -46.57 87.32 Favored 'General case' 0 N--CA 1.512 2.653 0 CA-C-O 116.627 -1.654 . . . . 51.51 107.973 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.5 t -54.4 -49.73 62.68 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 O-C-N 125.313 1.633 . . . . 24.78 113.103 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.63 -43.16 89.61 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.146 -1.596 . . . . 29.26 113.504 -175.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.64 -42.32 95.53 Favored 'General case' 0 N--CA 1.406 -2.642 0 CA-C-O 111.842 -3.932 . . . . 39.22 109.383 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.28 94.93 Favored 'General case' 0 N--CA 1.505 2.318 1 O-C-N 129.308 4.13 . . . . 86.15 109.918 -178.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.78 -28.67 45.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 O-C-N 120.953 -1.092 . . . . 44.12 110.675 177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.501 1.12 . . . . 45.24 111.73 -172.266 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.833 0 N-CA-C 109.243 -1.543 . . . . 16.11 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.02 132.8 49.9 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 106.127 -1.805 . . . . 72.87 106.127 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.86 116.34 52.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 CA-C-N 121.957 2.162 . . . . 16.89 105.211 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.571 -1.331 . . . . 39.66 108.716 176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.9 128.81 37.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 121.795 2.089 . . . . 18.55 115.903 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.26 -43.47 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.266 -1.013 . . . . 15.34 108.266 169.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.38 11.95 Favored Pre-proline 0 C--O 1.24 0.564 0 N-CA-C 105.85 -1.907 . . . . 42.67 105.85 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -69.51 145.09 57.53 Favored 'Trans proline' 0 N--CA 1.442 -1.549 0 C-N-CA 123.103 2.535 . . . . 20.98 114.646 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.83 -162.23 37.17 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 108.935 -1.666 . . . . 24.91 108.935 170.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.33 59.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.62 66.5 Favored Glycine 0 C--O 1.222 -0.64 0 O-C-N 121.67 -0.644 . . . . 19.67 114.423 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 119.403 1.601 . . . . 98.27 112.195 -174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.403 1.081 . . . . 20.68 112.308 -176.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.38 148.49 39.73 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.405 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.76 96.63 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.741 2.961 . . . . 27.68 111.314 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.92 153.13 21.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.906 -1.887 . . . . 88.66 105.906 170.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.93 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 108.176 -1.046 . . . . 99.06 108.176 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-O 118.522 -1.154 . . . . 28.49 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.53 151.71 30.57 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 121.156 2.478 . . . . 35.54 109.742 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.8 m -83.79 120.45 26.05 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 125.309 1.631 . . . . 23.17 109.13 170.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 107.685 -1.228 . . . . 17.72 107.685 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.74 118.39 57.14 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 106.41 -1.7 . . . . 14.36 106.41 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.3 157.52 42.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 O-C-N 121.685 -0.634 . . . . 11.27 112.188 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.06 144.18 37.42 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.279 -1.008 . . . . 20.93 108.279 158.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.52 155.6 44.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.529 0.68 . . . . 14.55 112.385 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.14 132.31 47.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 104.121 -2.548 . . . . 14.19 104.121 166.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.53 142.06 16.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.394 -1.082 . . . . 15.91 110.394 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.3 43.74 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 121.928 0.87 . . . . 33.26 109.4 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.87 142.56 44.08 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.299 -1.371 . . . . 36.95 107.299 173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.14 6.79 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 120.699 1.59 . . . . 72.56 109.488 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 49.32 45.47 23.56 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 124.455 2.074 . . . . 71.74 115.731 -172.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 111.73 -2.487 . . . . 48.7 110.997 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.66 135.7 43.77 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.957 -2.622 . . . . 83.47 110.721 -168.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.86 129.56 40.28 Favored 'General case' 0 CA--C 1.522 -0.098 0 N-CA-C 108.334 -0.988 . . . . 73.09 108.334 160.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.82 -18.28 11.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 118.556 -0.735 . . . . 20.97 111.099 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.18 151.52 15.8 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 121.652 2.024 . . . . 22.26 113.332 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.39 128.75 7.58 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.2 p -73.19 -19.95 60.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.238 -0.585 . . . . 19.07 111.239 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.32 96.12 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.729 -1.232 . . . . 50.14 110.971 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.82 -41.37 61.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.224 1.964 . . . . 77.19 112.376 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.34 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 111.37 -2.65 . . . . 68.77 112.581 -174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.03 13.53 3.8 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.851 0.86 . . . . 92.53 111.459 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.17 129.28 24.56 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 120.319 -1.488 . . . . 86.18 108.179 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.12 152.5 40.3 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.658 2.905 . . . . 32.99 107.78 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.96 140.61 29.71 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 112.087 -2.324 . . . . 21.39 106.353 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.14 141.35 51.78 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 106.499 -1.667 . . . . 31.31 106.499 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.011 -0.995 . . . . 24.29 108.484 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.65 124.03 44.48 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 122.395 1.093 . . . . 52.57 108.43 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.03 52.34 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.001 -1.454 . . . . 23.88 108.471 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.72 83.09 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 117.693 -1.615 . . . . 41.17 114.752 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.08 9.83 34.16 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 121.347 2.573 . . . . 79.21 115.136 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.4 12.92 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.805 2.15 . . . . 66.86 116.805 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.1 -29.64 61.95 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 120.758 -1.214 . . . . 26.18 112.517 173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.42 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.778 0.799 . . . . 13.3 110.482 -174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.46 153.72 2.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.983 0.897 . . . . 11.35 112.672 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.41 -38.59 74.56 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 115.365 1.617 . . . . 64.64 115.365 -173.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.58 77.09 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-O 118.81 -0.994 . . . . 12.57 113.832 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.19 48.59 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 118.288 -0.863 . . . . 14.82 108.76 174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.67 82.72 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 119.528 1.058 . . . . 44.5 112.074 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.05 39.17 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 114.172 1.175 . . . . 52.63 114.172 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.15 20.74 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.519 -0.632 . . . . 14.21 111.519 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.15 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.463 0.542 . . . . 13.3 112.463 -177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.26 -24.81 45.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.198 1.925 . . . . 11.35 116.198 175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.46 13.36 33.6 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 120.415 -1.428 . . . . 18.89 111.686 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.5 147.02 27.27 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.387 -1.338 . . . . 14.13 107.387 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.47 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.683 0 C-N-CA 119.632 -0.827 . . . . 15.47 112.356 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.88 130.69 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.491 0 CA-C-N 118.422 0.555 . . . . 22.97 109.833 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.7 61.52 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 16.68 113.152 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.38 45.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 121.795 -0.826 . . . . 16.0 109.463 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.68 56.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 105.976 -1.861 . . . . 19.71 105.976 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.8 44.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.369 1.08 . . . . 11.91 113.589 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.3 121.93 35.19 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 104.232 -2.507 . . . . 40.73 104.232 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.87 40.0 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 117.969 -1.015 . . . . 26.74 108.461 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.22 123.96 48.27 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 121.385 1.902 . . . . 13.86 107.423 172.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.64 125.16 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 123.527 1.632 . . . . 11.09 107.391 -167.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.0 p -73.7 158.42 86.22 Favored Pre-proline 0 CA--C 1.515 -0.4 0 CA-C-O 117.048 -1.454 . . . . 15.98 108.411 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.14 -36.43 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.981 0 C-N-CA 125.024 3.816 . . . . 16.36 112.71 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.16 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.198 1.185 . . . . 25.87 114.198 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.08 7.06 38.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.3 -0.875 . . . . 40.19 111.18 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.54 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.5 -2.037 . . . . 14.63 105.5 -174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.46 2.66 26.49 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.967 -3.583 . . . . 14.49 114.84 -174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.75 50.57 Favored Glycine 0 C--N 1.337 0.632 0 N-CA-C 115.388 0.915 . . . . 13.72 115.388 165.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.39 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 118.532 -1.267 . . . . 19.9 112.054 -172.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 119.898 -1.751 . . . . 46.16 111.978 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 108.715 -1.754 . . . . 15.03 108.715 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.478 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.1 t60 -119.61 110.33 37.23 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.742 -2.688 . . . . 16.17 103.742 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.96 127.06 14.06 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 124.713 3.609 . . . . 47.23 114.865 -170.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.04 -20.6 28.29 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.194 -1.366 . . . . 25.36 112.736 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.478 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 120.768 2.284 . . . . 20.7 109.051 -167.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.57 31.6 Favored Pre-proline 0 N--CA 1.466 0.338 0 O-C-N 119.233 -2.167 . . . . 20.63 105.534 -170.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.98 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 124.603 3.535 . . . . 23.63 112.272 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.26 142.65 55.86 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.862 3.041 . . . . 17.49 110.249 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.33 21.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 112.808 -1.997 . . . . 28.26 112.114 172.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.54 35.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 120.168 1.349 . . . . 16.1 112.64 175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.98 35.26 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.904 -1.147 . . . . 15.74 107.904 167.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.67 139.98 50.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.906 -1.043 . . . . 14.6 110.994 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.2 116.83 31.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.666 -1.976 . . . . 15.34 105.666 166.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.15 130.8 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.485 1.493 . . . . 15.13 107.689 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.19 31.35 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 108.233 -1.025 . . . . 35.49 108.233 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.75 14.24 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 123.124 1.44 . . . . 17.35 108.266 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.41 -46.02 42.83 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.268 -1.787 . . . . 26.84 114.906 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.86 6.41 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.069 -1.456 . . . . 74.94 107.069 -163.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.1 140.44 49.06 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.068 -1.456 . . . . 28.26 107.068 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.225 -1.028 . . . . 62.18 108.225 171.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.834 0 CA-C-O 124.952 2.31 . . . . 73.77 115.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.76 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 102.447 -3.168 . . . . 35.3 102.447 -172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.96 141.35 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 1 C-N-CA 109.89 -4.724 . . . . 39.45 109.871 173.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 24.7 mt -74.25 153.53 39.37 Favored 'General case' 0 C--O 1.256 1.415 0 C-N-CA 115.024 -2.67 . . . . 43.73 108.729 -172.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.4 -29.78 70.01 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 115.988 -1.958 . . . . 34.48 108.57 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.5 -47.1 70.16 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 130.435 3.494 . . . . 53.71 109.127 173.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.48 66.31 Favored 'General case' 0 C--N 1.376 1.757 0 O-C-N 119.803 -1.81 . . . . 63.11 109.853 -175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.4 ttm -71.19 -40.2 71.35 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.066 -3.854 . . . . 48.7 103.259 -166.971 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.67 -37.13 85.64 Favored 'General case' 0 C--N 1.373 1.595 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.61 -46.74 78.17 Favored 'General case' 0 C--O 1.282 2.768 0 N-CA-C 106.945 -1.502 . . . . 35.1 106.945 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.4 -41.63 89.01 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 114.195 1.183 . . . . 61.75 114.195 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.26 95.32 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.461 -2.299 . . . . 29.17 112.466 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.1 -43.96 93.76 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.14 1.141 . . . . 25.27 108.625 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.56 81.03 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 128.679 2.792 . . . . 49.28 109.341 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.25 -42.8 65.22 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.8 1.312 . . . . 58.72 110.358 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.32 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 117.1 -1.428 . . . . 26.56 107.781 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.93 -35.96 76.02 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 116.911 -1.916 . . . . 29.49 115.303 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.45 -43.85 96.18 Favored 'General case' 0 C--O 1.297 3.565 0 C-N-CA 116.87 -1.932 . . . . 86.67 114.625 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.4 -40.53 91.27 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 119.076 -2.265 . . . . 37.87 114.474 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.19 -61.86 1.83 Allowed 'General case' 0 CA--C 1.594 2.671 0 CA-C-O 116.684 -1.627 . . . . 39.32 107.162 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.71 -37.94 65.0 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 115.833 1.79 . . . . 37.26 115.833 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -53.01 4.0 Favored Glycine 0 N--CA 1.41 -3.09 0 C-N-CA 126.221 1.867 . . . . 50.14 109.143 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.61 45.88 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 119.015 2.968 . . . . 83.84 119.015 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.75 20.57 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.688 -1.148 . . . . 55.11 110.214 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.17 4.43 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 124.638 1.211 . . . . 34.24 111.9 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.79 -42.2 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.9 0 C-N-CA 125.937 1.695 . . . . 33.92 106.998 -175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.87 -42.3 68.46 Favored 'General case' 0 C--O 1.277 2.535 0 C-N-CA 116.111 -2.236 . . . . 74.08 112.196 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.92 -42.5 60.04 Favored Glycine 1 C--O 1.103 -8.055 0 N-CA-C 107.12 -2.392 . . . . 26.89 107.12 -173.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.33 -40.67 71.46 Favored 'General case' 0 C--O 1.284 2.882 0 O-C-N 118.568 -2.725 . . . . 31.12 116.258 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.79 82.76 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 115.503 -2.189 . . . . 36.8 112.155 172.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.2 mt-10 -55.15 -41.58 71.97 Favored 'General case' 0 N--CA 1.408 -2.553 1 O-C-N 129.607 4.317 . . . . 55.15 110.467 -178.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.7 t -66.58 -48.73 79.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 CA-C-O 116.125 -1.893 . . . . 28.85 113.378 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.05 -27.4 57.27 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 120.92 1.691 . . . . 32.61 111.204 -172.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.28 -40.29 58.63 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.274 1.852 . . . . 77.99 115.809 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.0 -27.24 17.55 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 C-N-CA 123.974 3.116 . . . . 37.5 110.633 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.08 -46.74 67.02 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 113.966 -3.094 . . . . 38.03 111.583 176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.71 86.0 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 117.131 -1.827 . . . . 28.46 112.105 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.9 -36.24 83.73 Favored 'General case' 1 N--CA 1.542 4.162 0 CA-C-O 115.049 -2.405 . . . . 33.73 108.438 -175.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -61.96 -42.85 99.58 Favored 'General case' 0 C--O 1.269 2.09 0 C-N-CA 114.519 -2.872 . . . . 83.57 115.868 169.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.02 -44.74 79.03 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 115.917 -4.24 . . . . 45.57 109.435 172.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.24 62.81 Favored 'General case' 0 C--O 1.256 1.424 0 O-C-N 124.956 1.41 . . . . 75.24 112.929 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.493 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.94 -32.64 74.46 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 115.275 -2.297 . . . . 91.25 111.143 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.36 12.18 Favored Glycine 0 N--CA 1.463 0.452 0 CA-C-N 121.845 2.111 . . . . 53.21 112.547 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.94 141.48 40.53 Favored 'Trans proline' 0 N--CA 1.419 -2.865 0 C-N-CA 123.411 2.741 . . . . 40.63 111.771 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.58 1.01 9.45 Favored 'General case' 1 C--O 1.14 -4.7 0 O-C-N 118.011 -2.931 . . . . 76.62 115.384 174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.17 163.14 23.8 Favored 'General case' 0 C--O 1.284 2.904 0 O-C-N 120.118 -1.614 . . . . 36.06 111.446 170.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.73 -45.22 86.11 Favored 'General case' 0 N--CA 1.516 2.859 0 O-C-N 119.808 -1.808 . . . . 38.7 109.12 175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.08 73.5 Favored 'General case' 0 C--O 1.303 3.911 0 C-N-CA 127.198 2.199 . . . . 50.36 110.986 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.8 -38.65 67.15 Favored 'General case' 0 C--N 1.283 -2.292 0 CA-C-O 125.045 2.355 . . . . 33.39 107.431 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.37 -41.13 81.07 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 113.165 -1.834 . . . . 39.1 109.356 -174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.53 -34.88 65.44 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 115.02 -2.672 . . . . 32.16 106.305 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.7 t80 -61.45 -43.78 98.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.51 1.505 . . . . 31.86 109.624 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.21 94.78 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 119.618 -0.833 . . . . 38.09 111.799 177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.18 -44.36 71.47 Favored 'General case' 0 CA--C 1.6 2.877 0 N-CA-C 115.547 1.684 . . . . 28.08 115.547 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.88 Favored 'General case' 0 C--O 1.212 -0.882 0 O-C-N 127.685 3.116 . . . . 28.68 113.178 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.39 12.35 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.417 -3.659 . . . . 42.11 112.01 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.35 -50.44 50.31 Favored Glycine 1 C--O 1.168 -4.005 0 CA-C-N 122.076 2.216 . . . . 31.31 108.6 -167.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.12 94.44 Favored 'General case' 0 C--O 1.257 1.464 0 C-N-CA 117.65 -1.62 . . . . 88.51 112.281 -177.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.84 -43.78 90.82 Favored 'General case' 0 C--O 1.271 2.226 0 O-C-N 120.538 -1.352 . . . . 40.94 110.603 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.08 -37.3 81.08 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 116.786 -1.966 . . . . 25.06 110.984 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -45.94 91.54 Favored 'General case' 0 CA--C 1.558 1.267 0 O-C-N 120.791 -1.193 . . . . 63.84 109.288 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -58.52 -41.61 85.85 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.309 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.43 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 120.0 1.273 . . . . 30.52 108.196 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.6 77.16 Favored 'General case' 0 C--N 1.376 1.721 0 CA-C-O 115.439 -2.22 . . . . 46.04 114.945 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.46 -42.06 99.2 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 122.817 2.553 . . . . 79.1 110.119 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.29 -46.35 88.78 Favored 'General case' 0 C--O 1.263 1.806 0 C-N-CA 118.279 -1.368 . . . . 45.28 111.898 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.6 -45.49 81.41 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 113.494 -3.282 . . . . 37.28 111.079 178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.36 72.84 Favored 'General case' 0 C--O 1.269 2.097 0 CA-C-O 116.709 -1.615 . . . . 45.73 109.292 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.93 -42.04 97.39 Favored 'General case' 0 C--O 1.259 1.597 0 CA-C-O 124.432 2.063 . . . . 72.23 113.583 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.26 -39.57 90.83 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-N 113.427 -1.715 . . . . 34.96 113.896 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.83 74.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 127.509 3.006 . . . . 46.8 108.064 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.88 13.11 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.456 -0.942 . . . . 70.07 108.456 -173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.29 -34.56 59.09 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 116.877 -3.639 . . . . 41.74 115.416 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.54 15.1 75.2 Favored Glycine 0 N--CA 1.492 2.43 2 O-C-N 114.105 -5.372 . . . . 28.2 111.139 -168.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.6 110.54 22.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 112.905 -3.426 . . . . 61.4 109.732 -176.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.287 7.2 p -52.2 -26.72 9.04 Favored 'Isoleucine or valine' 1 C--O 1.317 4.626 0 CA-C-N 124.223 3.192 . . . . 42.78 115.151 -179.02 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.0 -31.28 66.79 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 116.358 -3.964 . . . . 73.61 113.54 171.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.2 -36.82 77.68 Favored 'General case' 0 C--O 1.265 1.876 0 C-N-CA 115.239 -2.584 . . . . 40.58 109.797 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.5 -27.84 61.6 Favored 'General case' 0 C--O 1.293 3.357 0 C-N-CA 118.292 -1.363 . . . . 43.18 111.636 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.556 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.76 96.4 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.008 -4.677 . . . . 44.02 105.541 179.019 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.51 71.38 Favored 'General case' 0 N--CA 1.521 3.119 1 CA-C-O 128.946 4.212 . . . . 58.1 109.914 -171.477 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.13 -36.93 84.44 Favored 'General case' 0 N--CA 1.537 3.909 0 CA-C-N 108.465 -3.97 . . . . 24.53 110.99 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -72.03 -21.83 61.49 Favored 'General case' 0 C--N 1.412 3.319 0 CA-C-O 116.429 -1.748 . . . . 33.52 111.587 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.41 -40.3 81.3 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 121.226 1.83 . . . . 40.54 108.55 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.18 -37.26 66.57 Favored 'General case' 0 C--O 1.28 2.687 0 CA-C-O 114.239 -2.791 . . . . 30.94 108.782 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.11 -39.68 93.45 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 126.995 2.685 . . . . 25.15 111.155 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.18 -41.16 77.55 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 116.232 -1.842 . . . . 27.38 106.404 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.9 t60 -58.74 -46.74 86.72 Favored 'General case' 0 N--CA 1.511 2.605 0 O-C-N 125.256 1.598 . . . . 51.51 107.925 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.31 -49.7 61.89 Favored 'Isoleucine or valine' 0 C--O 1.267 1.992 0 O-C-N 125.23 1.581 . . . . 24.78 113.148 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.74 -43.09 90.13 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.1 -1.625 . . . . 29.26 113.448 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.7 -42.18 95.49 Favored 'General case' 0 N--CA 1.405 -2.712 0 CA-C-O 111.744 -3.979 . . . . 39.22 109.471 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.8 -40.46 95.25 Favored 'General case' 0 N--CA 1.505 2.291 1 O-C-N 129.333 4.146 . . . . 86.15 109.951 -178.214 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.6 -28.66 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.006 -1.059 . . . . 44.12 110.724 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.269 2.094 0 C-N-CA 124.566 1.146 . . . . 45.24 111.712 -172.272 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.241 -1.544 . . . . 16.11 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.36 129.08 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.74 49.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.158 -1.793 . . . . 72.87 106.158 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.77 116.28 52.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 121.954 2.161 . . . . 16.89 105.309 -178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.09 125.75 53.87 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.546 -1.347 . . . . 39.66 108.731 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.838 2.108 . . . . 18.55 115.88 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.21 -43.52 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.03 135.41 11.97 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 105.858 -1.904 . . . . 42.67 105.858 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.45 145.06 57.75 Favored 'Trans proline' 0 N--CA 1.441 -1.573 0 C-N-CA 123.164 2.576 . . . . 20.98 114.65 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.85 -162.22 37.18 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 108.942 -1.663 . . . . 24.91 108.942 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.37 -9.29 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.999 1.481 . . . . 28.85 114.999 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.618 -0.676 . . . . 19.67 114.383 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.22 -42.53 0.72 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 119.449 1.624 . . . . 98.27 112.198 -174.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.63 15.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.387 1.075 . . . . 20.68 112.356 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.36 148.45 39.64 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 115.64 -2.124 . . . . 22.03 108.445 -175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.558 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.98 145.75 96.61 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.74 2.96 . . . . 27.68 111.33 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.9 153.15 21.77 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 105.89 -1.892 . . . . 88.66 105.89 170.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.44 132.78 45.12 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.158 -1.053 . . . . 99.06 108.158 171.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-O 118.444 -1.198 . . . . 28.49 112.563 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.55 151.79 30.5 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 121.168 2.484 . . . . 35.54 109.766 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.4 m -83.89 120.5 26.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.311 1.632 . . . . 23.17 109.131 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.87 135.27 35.37 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 107.65 -1.241 . . . . 17.72 107.65 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.48 57.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.388 -1.708 . . . . 14.36 106.388 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.4 157.48 42.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 O-C-N 121.661 -0.65 . . . . 11.27 112.19 -170.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.0 144.23 37.25 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.305 -0.998 . . . . 20.93 108.305 158.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.57 155.55 44.33 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.533 0.682 . . . . 14.55 112.397 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.16 132.21 47.29 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 104.151 -2.537 . . . . 14.19 104.151 166.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.08 17.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.428 -1.069 . . . . 15.91 110.428 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.33 43.74 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.918 0.866 . . . . 33.26 109.413 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.91 142.55 44.01 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.281 -1.378 . . . . 36.95 107.281 173.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.15 6.81 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.634 1.561 . . . . 72.56 109.473 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.28 45.52 23.43 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 124.5 2.095 . . . . 71.74 115.694 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.781 -2.463 . . . . 48.7 110.953 -175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.71 43.81 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 110.88 -2.66 . . . . 83.47 110.708 -168.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.85 129.51 40.11 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.295 -1.002 . . . . 73.09 108.295 160.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.78 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.129 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.55 15.86 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 121.664 2.029 . . . . 22.26 113.373 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.44 128.71 7.51 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.89 61.0 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.237 -0.585 . . . . 19.07 111.27 172.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.74 -41.3 96.02 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.732 -1.23 . . . . 50.14 110.989 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.82 -41.44 61.77 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 124.252 1.977 . . . . 77.19 112.327 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.23 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 111.415 -2.63 . . . . 68.77 112.605 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.93 13.58 3.75 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.875 0.87 . . . . 92.53 111.457 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.24 24.57 Favored Pre-proline 0 CA--C 1.54 0.593 0 O-C-N 120.341 -1.474 . . . . 86.18 108.152 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.672 2.915 . . . . 32.99 107.777 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.07 140.62 29.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 112.091 -2.322 . . . . 21.39 106.321 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.37 51.77 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 106.475 -1.676 . . . . 31.31 106.475 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.42 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.506 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.06 44.6 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-O 122.428 1.109 . . . . 52.57 108.414 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.48 136.97 52.19 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.459 -175.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.02 -5.67 83.07 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-O 117.675 -1.625 . . . . 41.17 114.728 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.82 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 121.381 2.59 . . . . 79.21 115.07 -178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.73 34.45 13.02 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.812 2.153 . . . . 66.86 116.812 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.22 -29.54 61.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.727 -1.233 . . . . 26.18 112.442 173.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.47 167.5 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.763 0.792 . . . . 13.3 110.467 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.47 153.7 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 122.004 0.907 . . . . 11.35 112.68 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.6 74.4 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 115.377 1.621 . . . . 64.64 115.377 -173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.05 -31.53 76.98 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-O 118.804 -0.998 . . . . 12.57 113.853 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.18 48.58 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 118.305 -0.855 . . . . 14.82 108.768 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.75 82.54 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.544 1.065 . . . . 44.5 112.073 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.09 39.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.157 1.169 . . . . 52.63 114.157 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.09 21.15 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.553 -0.619 . . . . 14.21 111.553 -177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.6 -33.17 60.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.89 44.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 116.184 1.92 . . . . 11.35 116.184 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.42 13.36 33.55 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 120.451 -1.405 . . . . 18.89 111.709 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.386 -1.338 . . . . 14.13 107.386 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.0 p -101.51 163.21 12.38 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 119.613 -0.835 . . . . 15.47 112.397 172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.86 130.7 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 CA-C-N 118.462 0.574 . . . . 22.97 109.841 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.82 -14.72 61.49 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 124.46 1.1 . . . . 16.68 113.153 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.44 45.38 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 121.817 -0.813 . . . . 16.0 109.457 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.23 130.7 56.22 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 105.937 -1.875 . . . . 19.71 105.937 168.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.83 44.48 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 122.394 1.092 . . . . 11.91 113.592 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.26 121.85 35.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 104.258 -2.497 . . . . 40.73 104.258 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.64 119.84 39.94 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.998 -1.001 . . . . 26.74 108.487 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.21 123.99 48.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.393 1.906 . . . . 13.86 107.415 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.66 125.12 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-O 123.518 1.628 . . . . 11.09 107.389 -167.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.45 86.26 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 116.995 -1.479 . . . . 15.98 108.393 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -57.21 -36.37 99.05 Favored 'Trans proline' 0 CA--C 1.504 -0.985 0 C-N-CA 124.982 3.788 . . . . 16.36 112.693 -175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.12 63.45 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 114.222 1.193 . . . . 25.87 114.222 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.11 38.77 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.392 -0.817 . . . . 40.19 111.195 174.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.517 -2.031 . . . . 14.63 105.517 -174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.47 2.65 26.47 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 117.011 -3.555 . . . . 14.49 114.821 -174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.48 -146.81 50.62 Favored Glycine 0 C--N 1.338 0.652 0 N-CA-C 115.33 0.892 . . . . 13.72 115.33 165.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.83 59.75 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.564 -1.255 . . . . 19.9 112.084 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.99 -33.32 13.48 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 119.901 -1.749 . . . . 46.16 112.013 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.61 54.66 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 108.698 -1.761 . . . . 15.03 108.698 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.31 37.28 Favored Pre-proline 0 N--CA 1.438 -1.027 0 N-CA-C 103.779 -2.674 . . . . 16.17 103.779 178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.04 14.15 Favored 'Trans proline' 0 CA--C 1.515 -0.445 0 C-N-CA 124.703 3.602 . . . . 47.23 114.882 -170.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.64 28.45 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.648 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.78 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.791 2.295 . . . . 20.7 109.049 -167.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.64 124.55 31.6 Favored Pre-proline 0 N--CA 1.466 0.358 0 O-C-N 119.19 -2.194 . . . . 20.63 105.508 -170.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.78 162.92 40.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.627 3.551 . . . . 23.63 112.312 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.22 142.69 55.24 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.832 3.021 . . . . 17.49 110.221 168.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.08 37.28 21.1 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.823 -1.99 . . . . 28.26 112.085 172.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.57 35.61 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 120.177 1.353 . . . . 16.1 112.628 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.03 132.99 35.26 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 107.934 -1.136 . . . . 15.74 107.934 167.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.87 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 107.767 -1.197 . . . . 14.61 107.767 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.55 128.23 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 122.12 0.962 . . . . 14.46 109.036 169.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.75 140.01 50.27 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 114.905 -1.043 . . . . 14.6 110.93 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.23 116.81 31.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.711 -1.959 . . . . 15.34 105.711 166.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.06 130.78 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.452 1.478 . . . . 15.13 107.696 -172.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.81 118.22 31.45 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.79 14.27 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 123.156 1.455 . . . . 17.35 108.275 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.47 -46.07 42.03 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.302 -1.772 . . . . 26.84 114.823 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.94 6.44 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.009 -1.478 . . . . 74.94 107.009 -163.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.19 140.45 49.08 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.044 -1.465 . . . . 28.26 107.044 172.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 108.163 -1.051 . . . . 62.18 108.163 171.466 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.914 0 CA-C-O 124.876 2.274 . . . . 73.77 115.635 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.43 113.5 20.87 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.25 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 1 C-N-CA 110.004 -4.679 . . . . 39.45 109.94 173.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.5 mt -74.16 153.61 39.45 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 114.967 -2.693 . . . . 43.73 108.832 -172.648 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.49 -29.77 69.96 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 116.016 -1.945 . . . . 34.48 108.515 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.33 -47.19 69.53 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 130.582 3.553 . . . . 53.71 109.118 173.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.61 -40.57 66.41 Favored 'General case' 0 C--N 1.376 1.722 0 O-C-N 119.871 -1.768 . . . . 63.11 109.847 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.1 -40.29 71.58 Favored 'General case' 1 N--CA 1.57 5.538 0 C-N-CA 112.121 -3.831 . . . . 48.7 103.213 -166.933 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.74 -36.96 85.07 Favored 'General case' 0 C--N 1.372 1.551 0 N-CA-C 115.36 1.615 . . . . 29.05 115.36 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.82 -46.54 78.23 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 106.909 -1.515 . . . . 35.1 106.909 -176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.64 -41.55 88.12 Favored 'General case' 0 C--O 1.277 2.545 0 N-CA-C 114.123 1.157 . . . . 61.75 114.123 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.12 95.47 Favored Glycine 0 CA--C 1.565 3.202 0 CA-C-O 116.408 -2.329 . . . . 29.17 112.599 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.1 -43.87 94.06 Favored 'General case' 0 C--O 1.286 2.977 0 O-C-N 125.267 1.216 . . . . 25.27 108.654 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.39 -47.48 81.57 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 128.643 2.777 . . . . 49.28 109.331 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.18 -42.91 65.32 Favored 'General case' 0 C--O 1.187 -2.234 0 O-C-N 124.823 1.327 . . . . 58.72 110.37 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.39 83.5 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 117.058 -1.449 . . . . 26.56 107.802 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.96 -35.91 75.97 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 116.805 -1.958 . . . . 29.49 115.406 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.37 -43.9 96.34 Favored 'General case' 0 C--O 1.296 3.51 0 C-N-CA 116.856 -1.938 . . . . 86.67 114.683 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.43 -40.42 91.01 Favored 'General case' 0 N--CA 1.435 -1.2 0 O-C-N 119.124 -2.235 . . . . 37.87 114.52 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.29 -61.81 1.84 Allowed 'General case' 0 CA--C 1.596 2.715 0 CA-C-O 116.618 -1.658 . . . . 39.32 107.185 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.08 65.13 Favored 'General case' 0 N--CA 1.509 2.525 0 N-CA-C 115.786 1.773 . . . . 37.26 115.786 -174.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.29 -53.02 4.01 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 126.172 1.844 . . . . 50.14 109.149 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.63 -6.66 45.94 Favored 'General case' 0 C--O 1.245 0.85 0 N-CA-C 119.064 2.987 . . . . 83.84 119.064 -174.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.09 32.79 20.72 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 117.793 -1.099 . . . . 55.11 110.118 -171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.74 93.25 4.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 118.957 -1.097 . . . . 34.24 111.854 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.4 t -72.82 -42.29 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 C-N-CA 125.982 1.713 . . . . 33.92 106.947 -175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.86 -42.27 68.4 Favored 'General case' 0 C--O 1.278 2.578 0 C-N-CA 116.094 -2.242 . . . . 74.08 112.243 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.49 59.68 Favored Glycine 1 C--O 1.104 -8.019 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.35 -40.68 71.53 Favored 'General case' 0 C--O 1.284 2.885 0 O-C-N 118.578 -2.719 . . . . 31.12 116.212 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.3 -44.74 82.6 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 115.523 -2.179 . . . . 36.8 112.154 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.17 -41.56 72.03 Favored 'General case' 0 N--CA 1.407 -2.612 1 O-C-N 129.626 4.329 . . . . 55.15 110.558 -178.108 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.0 t -66.46 -48.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 116.205 -1.855 . . . . 28.85 113.346 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.02 -27.32 57.3 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 120.901 1.682 . . . . 32.61 111.161 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.25 -40.32 59.2 Favored Pre-proline 0 N--CA 1.507 2.416 0 CA-C-N 121.283 1.856 . . . . 77.99 115.86 -173.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.04 -27.16 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.974 3.116 . . . . 37.5 110.679 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.04 -46.83 66.9 Favored 'General case' 0 C--O 1.288 3.103 0 C-N-CA 114.03 -3.068 . . . . 38.03 111.588 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.66 -38.69 85.72 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 117.17 -1.812 . . . . 28.46 112.076 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.26 83.82 Favored 'General case' 1 N--CA 1.544 4.257 0 CA-C-O 115.006 -2.426 . . . . 33.73 108.414 -175.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.391 13.4 ttp -61.99 -42.87 99.62 Favored 'General case' 0 C--O 1.269 2.127 0 C-N-CA 114.481 -2.888 . . . . 83.57 115.768 169.267 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.68 79.15 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 115.888 -4.257 . . . . 45.57 109.475 172.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.2 62.75 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 124.935 1.397 . . . . 75.24 112.991 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.9 -32.64 74.45 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.222 -2.323 . . . . 91.25 111.205 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.16 Favored Glycine 0 N--CA 1.463 0.441 0 CA-C-N 121.702 2.047 . . . . 53.21 112.679 176.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -70.94 141.46 40.47 Favored 'Trans proline' 0 N--CA 1.419 -2.908 0 C-N-CA 123.424 2.749 . . . . 40.63 111.882 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.59 1.11 9.46 Favored 'General case' 1 C--O 1.139 -4.741 0 O-C-N 118.033 -2.917 . . . . 76.62 115.393 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.28 163.1 23.97 Favored 'General case' 0 C--O 1.284 2.916 0 O-C-N 120.208 -1.557 . . . . 36.06 111.369 170.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.67 -45.22 85.88 Favored 'General case' 0 N--CA 1.518 2.929 0 O-C-N 119.836 -1.79 . . . . 38.7 109.072 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.08 -32.13 73.58 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 127.262 2.225 . . . . 50.36 110.902 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.7 -38.84 67.41 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-O 124.959 2.314 . . . . 33.39 107.382 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.3 -41.14 81.35 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.174 -1.83 . . . . 39.1 109.429 -174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.87 65.6 Favored 'General case' 0 N--CA 1.527 3.392 0 C-N-CA 114.911 -2.715 . . . . 32.16 106.398 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.46 -43.66 98.47 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 120.549 1.522 . . . . 31.86 109.619 174.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.22 94.5 Favored 'General case' 0 C--O 1.257 1.486 0 C-N-CA 119.68 -0.808 . . . . 38.09 111.771 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.18 -44.33 71.44 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 115.577 1.695 . . . . 28.08 115.577 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.13 34.57 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 127.579 3.049 . . . . 28.68 113.183 -176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.66 0 CA-C-O 112.5 -3.619 . . . . 42.11 112.117 -170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.15 -50.64 50.18 Favored Glycine 1 C--O 1.166 -4.123 0 CA-C-N 121.997 2.181 . . . . 31.31 108.563 -167.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.12 94.33 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.567 -1.653 . . . . 88.51 112.335 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.78 -43.83 90.53 Favored 'General case' 0 C--O 1.271 2.199 0 O-C-N 120.567 -1.333 . . . . 40.94 110.633 177.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.07 -37.24 81.03 Favored 'General case' 0 C--O 1.268 2.037 0 C-N-CA 116.696 -2.002 . . . . 25.06 111.028 -176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.03 91.19 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.871 -1.143 . . . . 63.84 109.225 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.42 -41.64 85.47 Favored 'General case' 0 C--O 1.264 1.843 0 CA-C-O 117.573 -1.203 . . . . 46.34 113.315 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.35 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.01 1.277 . . . . 30.52 108.19 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.53 77.05 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 115.394 -2.241 . . . . 46.04 114.954 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.46 -42.03 99.19 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 122.855 2.571 . . . . 79.1 110.143 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.31 -46.3 88.96 Favored 'General case' 0 C--O 1.264 1.864 0 C-N-CA 118.297 -1.361 . . . . 45.28 111.894 176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.563 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.54 -45.68 81.07 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 113.638 -3.225 . . . . 37.28 111.043 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.93 -32.5 72.92 Favored 'General case' 0 C--O 1.269 2.099 0 O-C-N 120.005 -1.684 . . . . 45.73 109.207 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.99 97.01 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.517 2.103 . . . . 72.23 113.73 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.24 -39.66 91.13 Favored 'General case' 0 CA--C 1.574 1.868 0 CA-C-N 113.437 -1.71 . . . . 34.96 113.765 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.563 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.61 -41.85 74.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 127.444 2.965 . . . . 46.8 108.069 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.4 -39.75 13.19 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.528 -0.915 . . . . 70.07 108.528 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.38 -34.48 58.88 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 116.878 -3.639 . . . . 41.74 115.46 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.49 15.14 75.11 Favored Glycine 0 CA--C 1.552 2.373 2 O-C-N 114.06 -5.4 . . . . 28.2 111.163 -169.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.71 110.7 22.89 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 112.967 -3.397 . . . . 61.4 109.576 -176.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.281 7.2 p -52.47 -26.31 9.32 Favored 'Isoleucine or valine' 1 C--O 1.315 4.549 0 CA-C-N 124.065 3.12 . . . . 42.78 115.215 -178.988 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.22 67.09 Favored 'General case' 0 N--CA 1.425 -1.695 0 O-C-N 116.442 -3.911 . . . . 73.61 113.561 171.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.23 -36.8 77.57 Favored 'General case' 0 C--O 1.264 1.859 0 C-N-CA 115.255 -2.578 . . . . 40.58 109.788 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.9 tp -73.52 -27.83 61.57 Favored 'General case' 0 C--O 1.293 3.383 0 C-N-CA 118.233 -1.387 . . . . 43.18 111.618 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.32 1 C-N-CA 109.97 -4.692 . . . . 44.02 105.529 179.056 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.45 -33.54 71.4 Favored 'General case' 0 N--CA 1.523 3.179 1 CA-C-O 128.925 4.202 . . . . 58.1 109.841 -171.415 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.96 84.63 Favored 'General case' 0 N--CA 1.538 3.929 0 CA-C-N 108.458 -3.974 . . . . 24.53 111.001 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.11 -21.85 61.42 Favored 'General case' 0 C--N 1.414 3.412 0 CA-C-O 116.46 -1.733 . . . . 33.52 111.558 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -40.35 81.57 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 121.214 1.825 . . . . 40.54 108.486 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.34 -36.95 66.25 Favored 'General case' 0 C--O 1.279 2.651 0 CA-C-O 114.133 -2.842 . . . . 30.94 108.818 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.26 -39.68 92.97 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.98 2.675 . . . . 25.15 111.127 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.13 -41.1 77.79 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 116.145 -1.883 . . . . 27.38 106.422 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.6 t60 -58.75 -46.74 86.76 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.651 -1.642 . . . . 51.51 107.903 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.3 -49.81 60.98 Favored 'Isoleucine or valine' 0 C--O 1.266 1.932 0 O-C-N 125.3 1.625 . . . . 24.78 113.059 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.02 90.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.104 -1.622 . . . . 29.26 113.456 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.75 -42.15 95.37 Favored 'General case' 0 N--CA 1.405 -2.678 0 CA-C-O 111.801 -3.952 . . . . 39.22 109.418 176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.86 -40.44 95.15 Favored 'General case' 0 N--CA 1.505 2.29 1 O-C-N 129.263 4.102 . . . . 86.15 109.952 -178.224 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 120.993 -1.067 . . . . 44.12 110.663 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.269 2.13 0 C-N-CA 124.508 1.123 . . . . 45.24 111.676 -172.203 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.289 -1.524 . . . . 16.11 109.289 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.12 59.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -104.06 132.75 50.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.137 -1.801 . . . . 72.87 106.137 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.0 t -113.77 116.28 52.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 121.975 2.171 . . . . 16.89 105.259 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.89 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 120.52 -1.362 . . . . 39.66 108.753 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.91 128.81 37.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 121.782 2.083 . . . . 18.55 115.895 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.25 -43.4 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.282 -1.007 . . . . 15.34 108.282 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.39 11.92 Favored Pre-proline 0 C--O 1.239 0.537 0 N-CA-C 105.819 -1.919 . . . . 42.67 105.819 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -69.49 145.12 57.7 Favored 'Trans proline' 0 N--CA 1.442 -1.54 0 C-N-CA 123.069 2.513 . . . . 20.98 114.698 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.19 37.2 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 108.926 -1.669 . . . . 24.91 108.926 171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.33 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 115.004 1.483 . . . . 28.85 115.004 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.57 66.49 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.633 -0.667 . . . . 19.67 114.439 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.398 1.599 . . . . 98.27 112.182 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.11 103.66 15.63 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.369 1.068 . . . . 20.68 112.303 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.62 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.658 -2.115 . . . . 22.03 108.422 -175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.8 96.55 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.747 2.965 . . . . 27.68 111.282 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.89 153.16 21.74 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 105.88 -1.896 . . . . 88.66 105.88 170.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.43 132.75 45.04 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.155 -1.054 . . . . 99.06 108.155 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.09 63.81 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-O 118.487 -1.174 . . . . 28.49 112.579 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 121.189 2.495 . . . . 35.54 109.768 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.84 120.44 26.06 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.282 1.614 . . . . 23.17 109.114 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.83 135.21 35.38 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.711 -1.218 . . . . 17.72 107.711 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 N-CA-C 106.409 -1.7 . . . . 14.36 106.409 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.37 157.49 42.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 O-C-N 121.612 -0.68 . . . . 11.27 112.2 -170.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.25 37.27 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.57 44.36 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.518 0.675 . . . . 14.55 112.403 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.1 m -129.14 132.2 47.31 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 104.185 -2.524 . . . . 14.19 104.185 166.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.08 17.0 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.396 -1.082 . . . . 15.91 110.396 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.971 0.891 . . . . 33.26 109.429 173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.58 44.0 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.224 -1.399 . . . . 36.95 107.224 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.6 120.12 6.74 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 120.652 1.569 . . . . 72.56 109.542 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.3 45.48 23.5 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.493 2.092 . . . . 71.74 115.717 -172.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.53 6.76 Favored Glycine 0 N--CA 1.439 -1.14 0 CA-C-N 111.709 -2.496 . . . . 48.7 111.006 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.69 43.76 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 110.871 -2.664 . . . . 83.47 110.685 -168.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.82 129.48 40.0 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -113.77 -18.25 11.88 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 118.527 -0.749 . . . . 20.97 111.072 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.19 151.49 15.75 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.709 2.049 . . . . 22.26 113.361 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.4 128.76 7.57 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.22 -19.9 60.98 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 120.246 -0.582 . . . . 19.07 111.274 172.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.7 -41.37 96.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 120.73 -1.231 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -51.77 -41.43 61.64 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.244 1.973 . . . . 77.19 112.386 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 111.391 -2.64 . . . . 68.77 112.583 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.57 3.8 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.897 0.879 . . . . 92.53 111.443 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.22 24.56 Favored Pre-proline 0 C--O 1.24 0.587 0 O-C-N 120.317 -1.49 . . . . 86.18 108.134 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.09 152.54 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.678 2.919 . . . . 32.99 107.77 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.01 140.64 29.68 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 112.059 -2.337 . . . . 21.39 106.33 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.464 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.42 51.76 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 106.49 -1.67 . . . . 31.31 106.49 178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.84 44.43 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.967 -1.015 . . . . 24.29 108.474 172.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-O 122.396 1.093 . . . . 52.57 108.406 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.5 137.02 52.2 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.512 -175.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.65 83.09 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.744 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.88 34.21 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 121.333 2.566 . . . . 79.21 115.134 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.46 12.9 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.828 2.158 . . . . 66.86 116.828 -171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.58 61.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 120.775 -1.203 . . . . 26.18 112.532 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.55 18.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.775 0.798 . . . . 13.3 110.532 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.49 153.67 2.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-O 122.011 0.91 . . . . 11.35 112.673 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.37 -38.59 74.46 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 115.363 1.616 . . . . 64.64 115.363 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.98 -31.57 76.96 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-O 118.845 -0.975 . . . . 12.57 113.843 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.17 48.41 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-O 118.345 -0.836 . . . . 14.82 108.761 174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.69 82.76 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.532 1.06 . . . . 44.5 112.028 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -80.0 -34.01 38.84 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.169 1.174 . . . . 52.63 114.169 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.89 -53.1 20.92 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.537 -0.625 . . . . 14.21 111.537 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.59 -33.14 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 112.434 0.531 . . . . 13.3 112.434 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.88 44.2 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 116.223 1.934 . . . . 11.35 116.223 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.33 33.67 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 120.402 -1.436 . . . . 18.89 111.649 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.98 27.28 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.427 -1.323 . . . . 14.13 107.427 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.53 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.66 -0.816 . . . . 15.47 112.356 172.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 130.67 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 CA-C-N 118.461 0.573 . . . . 22.97 109.872 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.84 -14.77 61.44 Favored Glycine 0 CA--C 1.528 0.844 0 O-C-N 124.433 1.083 . . . . 16.68 113.143 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.86 144.37 45.48 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 121.746 -0.855 . . . . 16.0 109.476 -174.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.12 130.65 56.25 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.997 -1.853 . . . . 19.71 105.997 168.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.75 44.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.364 1.078 . . . . 11.91 113.587 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.95 35.14 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.262 -2.496 . . . . 40.73 104.262 170.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.72 119.83 39.93 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.966 -1.016 . . . . 26.74 108.45 175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.19 124.0 48.32 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 121.338 1.881 . . . . 13.86 107.41 172.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.62 125.13 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-O 123.492 1.615 . . . . 11.09 107.397 -167.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.64 158.42 86.3 Favored Pre-proline 0 CA--C 1.514 -0.411 0 CA-C-O 117.065 -1.445 . . . . 15.98 108.414 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.25 -36.37 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.997 0 C-N-CA 125.015 3.81 . . . . 16.36 112.659 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.13 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.233 1.197 . . . . 25.87 114.233 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.1 7.1 38.87 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.35 -0.844 . . . . 40.19 111.192 174.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.6 0.22 Allowed 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 105.501 -2.036 . . . . 14.63 105.501 -174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.5 2.67 26.42 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 116.97 -3.582 . . . . 14.49 114.853 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.45 -146.85 50.64 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 115.326 0.89 . . . . 13.72 115.326 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.52 -1.272 . . . . 19.9 112.09 -172.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.95 -33.37 13.49 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.863 -1.773 . . . . 46.16 111.994 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.55 54.63 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 108.741 -1.744 . . . . 15.03 108.741 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 85.9 t60 -119.58 110.24 37.4 Favored Pre-proline 0 N--CA 1.438 -1.042 0 N-CA-C 103.832 -2.655 . . . . 16.17 103.832 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -47.99 127.05 14.12 Favored 'Trans proline' 0 CA--C 1.515 -0.426 0 C-N-CA 124.734 3.622 . . . . 47.23 114.869 -170.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.06 -20.61 28.29 Favored Glycine 0 N--CA 1.437 -1.293 0 CA-C-N 114.099 -1.409 . . . . 25.36 112.753 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.81 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 120.801 2.301 . . . . 20.7 109.049 -167.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.363 0 O-C-N 119.203 -2.186 . . . . 20.63 105.535 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.76 162.96 40.06 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.597 3.531 . . . . 23.63 112.306 176.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -53.22 142.62 55.42 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.88 3.053 . . . . 17.49 110.25 168.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.18 37.23 20.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 112.853 -1.976 . . . . 28.26 112.092 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.57 35.62 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 120.218 1.372 . . . . 16.1 112.626 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.0 m -82.06 133.0 35.26 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.941 -1.133 . . . . 15.74 107.941 167.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.02 48.71 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.17 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.125 0.964 . . . . 14.46 109.062 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 114.909 -1.041 . . . . 14.6 110.949 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.83 31.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 105.71 -1.959 . . . . 15.34 105.71 166.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.86 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.481 1.492 . . . . 15.13 107.682 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.16 31.23 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.217 -1.031 . . . . 35.49 108.217 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.24 102.79 14.26 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 123.141 1.448 . . . . 17.35 108.252 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.54 -45.87 42.73 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.266 -1.788 . . . . 26.84 114.903 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.66 153.88 6.32 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.04 -1.467 . . . . 74.94 107.04 -163.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.17 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 107.072 -1.455 . . . . 28.26 107.072 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.463 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.877 0 CA-C-O 124.899 2.285 . . . . 73.77 115.586 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.58 20.99 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.02 141.19 14.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 1 C-N-CA 109.964 -4.695 . . . . 39.45 109.953 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.3 mt -74.09 153.53 39.56 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 115.054 -2.658 . . . . 43.73 108.828 -172.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.46 -29.74 69.93 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 116.035 -1.936 . . . . 34.48 108.568 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.31 -47.18 69.48 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.576 3.55 . . . . 53.71 109.138 173.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.63 66.29 Favored 'General case' 0 C--N 1.377 1.784 0 O-C-N 119.712 -1.867 . . . . 63.11 109.812 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.1 -40.26 71.59 Favored 'General case' 1 N--CA 1.57 5.542 0 C-N-CA 112.157 -3.817 . . . . 48.7 103.283 -166.99 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.64 -37.2 85.86 Favored 'General case' 0 C--N 1.373 1.593 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.72 -46.55 78.52 Favored 'General case' 0 C--O 1.28 2.681 0 N-CA-C 106.935 -1.506 . . . . 35.1 106.935 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.7 tt0 -66.61 -41.42 88.45 Favored 'General case' 0 C--O 1.276 2.499 0 N-CA-C 114.213 1.19 . . . . 61.75 114.213 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.22 95.23 Favored Glycine 0 CA--C 1.565 3.182 0 CA-C-O 116.551 -2.25 . . . . 29.17 112.608 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.95 -44.11 93.78 Favored 'General case' 0 C--O 1.286 2.976 0 O-C-N 125.204 1.179 . . . . 25.27 108.588 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.13 -47.64 80.63 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 128.833 2.853 . . . . 49.28 109.339 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.203 0 O-C-N 124.888 1.367 . . . . 58.72 110.404 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.33 83.25 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 117.074 -1.441 . . . . 26.56 107.74 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.9 -36.04 76.13 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 116.843 -1.943 . . . . 29.49 115.367 174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -63.36 -43.83 96.54 Favored 'General case' 0 C--O 1.296 3.53 0 C-N-CA 116.85 -1.94 . . . . 86.67 114.694 174.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.55 -40.4 91.47 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.144 -2.223 . . . . 37.87 114.406 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.3 -61.8 1.84 Allowed 'General case' 0 CA--C 1.595 2.693 0 CA-C-O 116.7 -1.619 . . . . 39.32 107.204 -173.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -73.62 -38.04 65.19 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.26 -53.08 4.0 Favored Glycine 0 N--CA 1.41 -3.098 0 C-N-CA 126.283 1.897 . . . . 50.14 109.177 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.66 -6.53 46.13 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 119.019 2.97 . . . . 83.84 119.019 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.01 32.74 20.5 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 117.747 -1.12 . . . . 55.11 110.183 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.75 93.22 4.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.49 1.119 . . . . 34.24 111.905 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.8 t -72.89 -42.16 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 C-N-CA 126.041 1.736 . . . . 33.92 106.963 -175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.691 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.27 68.67 Favored 'General case' 0 C--O 1.278 2.603 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.205 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.91 -42.56 60.05 Favored Glycine 1 C--O 1.102 -8.099 0 N-CA-C 107.107 -2.397 . . . . 26.89 107.107 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.21 -40.78 71.18 Favored 'General case' 0 C--O 1.283 2.822 0 O-C-N 118.568 -2.725 . . . . 31.12 116.318 172.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.23 -44.67 83.1 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 115.496 -2.193 . . . . 36.8 112.244 172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.1 mt-10 -55.23 -41.56 72.25 Favored 'General case' 0 N--CA 1.407 -2.584 1 O-C-N 129.625 4.328 . . . . 55.15 110.512 -178.102 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.6 t -66.46 -48.68 79.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-O 116.194 -1.86 . . . . 28.85 113.468 176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.12 -27.31 57.02 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 120.926 1.694 . . . . 32.61 111.146 -172.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.34 -40.33 58.58 Favored Pre-proline 0 N--CA 1.506 2.345 0 CA-C-N 121.283 1.856 . . . . 77.99 115.819 -173.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.7 Cg_endo -72.0 -27.21 17.58 Favored 'Trans proline' 0 N--CA 1.444 -1.408 0 C-N-CA 123.987 3.125 . . . . 37.5 110.619 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.09 -46.76 66.94 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.991 -3.084 . . . . 38.03 111.495 176.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -60.79 -38.6 85.87 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 117.168 -1.813 . . . . 28.46 112.044 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.94 -36.28 83.89 Favored 'General case' 1 N--CA 1.542 4.159 0 CA-C-O 115.064 -2.398 . . . . 33.73 108.433 -175.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.95 -43.03 99.69 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 114.566 -2.853 . . . . 83.57 115.704 169.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.1 mmm -55.98 -44.77 78.86 Favored 'General case' 0 C--O 1.219 -0.517 1 O-C-N 116.007 -4.183 . . . . 45.57 109.467 173.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.56 -40.22 62.33 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 124.767 1.292 . . . . 75.24 113.008 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.99 -32.73 74.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.176 -2.345 . . . . 91.25 111.135 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.27 12.08 Favored Glycine 0 N--CA 1.463 0.46 0 CA-C-N 121.764 2.074 . . . . 53.21 112.657 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -70.84 141.43 40.81 Favored 'Trans proline' 0 N--CA 1.419 -2.898 0 C-N-CA 123.475 2.783 . . . . 40.63 111.89 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.58 1.01 9.46 Favored 'General case' 1 C--O 1.14 -4.667 0 O-C-N 118.001 -2.937 . . . . 76.62 115.345 174.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 71.0 p -126.23 163.06 24.0 Favored 'General case' 0 C--O 1.285 2.923 0 O-C-N 120.136 -1.603 . . . . 36.06 111.413 170.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.67 -45.1 86.03 Favored 'General case' 0 N--CA 1.518 2.933 0 O-C-N 119.81 -1.806 . . . . 38.7 109.174 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.1 mttp -64.17 -32.01 73.42 Favored 'General case' 0 C--O 1.304 3.936 0 C-N-CA 127.162 2.185 . . . . 50.36 110.95 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.77 -38.74 67.22 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.964 2.316 . . . . 33.39 107.407 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.31 -41.15 81.31 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-N 113.14 -1.845 . . . . 39.1 109.374 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.53 -34.74 65.38 Favored 'General case' 0 N--CA 1.526 3.36 0 C-N-CA 114.946 -2.701 . . . . 32.16 106.425 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.6 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.492 1.496 . . . . 31.86 109.587 174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -65.12 -42.13 94.19 Favored 'General case' 0 C--O 1.257 1.489 0 C-N-CA 119.605 -0.838 . . . . 38.09 111.808 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.29 -44.19 71.7 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.506 1.669 . . . . 28.08 115.506 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.0 34.52 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.647 3.092 . . . . 28.68 113.154 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.48 1.32 12.31 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 112.441 -3.647 . . . . 42.11 112.045 -170.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.57 50.11 Favored Glycine 1 C--O 1.167 -4.05 0 CA-C-N 122.047 2.203 . . . . 31.31 108.585 -167.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -45.19 94.1 Favored 'General case' 0 C--O 1.258 1.511 0 C-N-CA 117.669 -1.613 . . . . 88.51 112.257 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.82 -43.77 90.7 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.448 -1.408 . . . . 40.94 110.656 177.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.28 81.11 Favored 'General case' 0 C--O 1.268 2.035 0 C-N-CA 116.75 -1.98 . . . . 25.06 111.015 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.04 91.14 Favored 'General case' 0 CA--C 1.557 1.212 0 O-C-N 120.861 -1.149 . . . . 63.84 109.24 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.42 -41.7 85.57 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 117.516 -1.231 . . . . 46.34 113.227 173.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.51 94.15 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.005 1.275 . . . . 30.52 108.185 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.18 -38.55 76.91 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-O 115.349 -2.262 . . . . 46.04 114.912 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.53 -41.93 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.912 2.597 . . . . 79.1 110.23 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.29 -46.39 88.67 Favored 'General case' 0 C--O 1.264 1.837 0 C-N-CA 118.359 -1.337 . . . . 45.28 111.858 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.8 m -56.55 -45.58 81.14 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 113.618 -3.233 . . . . 37.28 111.036 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.02 -32.47 72.97 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-O 116.617 -1.658 . . . . 45.73 109.175 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.87 -41.96 96.96 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.525 2.107 . . . . 72.23 113.751 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.23 -39.63 90.99 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 113.447 -1.706 . . . . 34.96 113.851 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.7 74.41 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.434 2.959 . . . . 46.8 108.054 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.45 -39.78 13.14 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.459 -0.941 . . . . 70.07 108.459 -173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.43 -34.48 58.77 Favored 'General case' 0 C--N 1.291 -1.958 0 O-C-N 116.902 -3.624 . . . . 41.74 115.4 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.2 75.26 Favored Glycine 0 N--CA 1.493 2.454 2 O-C-N 114.099 -5.376 . . . . 28.2 111.125 -169.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.68 110.63 22.79 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 112.87 -3.443 . . . . 61.4 109.626 -176.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.283 7.2 p -52.44 -26.55 9.63 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.125 3.148 . . . . 42.78 115.175 -178.925 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.82 -31.47 66.64 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.392 -3.942 . . . . 73.61 113.595 171.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.83 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 115.182 -2.607 . . . . 40.58 109.851 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.46 -27.77 61.6 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.213 -1.395 . . . . 43.18 111.706 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.42 -40.78 96.41 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.07 -4.652 . . . . 44.02 105.578 179.005 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.5 71.35 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-O 128.923 4.201 . . . . 58.1 109.884 -171.501 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.2 -36.88 84.22 Favored 'General case' 0 N--CA 1.538 3.95 0 CA-C-N 108.441 -3.981 . . . . 24.53 110.946 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.77 61.47 Favored 'General case' 0 C--N 1.413 3.335 0 CA-C-O 116.561 -1.685 . . . . 33.52 111.625 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.35 81.24 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 121.175 1.807 . . . . 40.54 108.459 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.24 -37.16 66.45 Favored 'General case' 0 C--O 1.278 2.604 0 CA-C-O 114.178 -2.82 . . . . 30.94 108.74 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.29 -39.55 92.68 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 127.033 2.708 . . . . 25.15 111.133 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.2 -41.13 77.51 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 116.137 -1.887 . . . . 27.38 106.394 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.714 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 56.5 t60 -58.75 -46.77 86.69 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-O 116.681 -1.628 . . . . 51.51 107.898 179.172 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.6 t -54.33 -49.68 62.29 Favored 'Isoleucine or valine' 0 C--O 1.265 1.919 0 O-C-N 125.286 1.617 . . . . 24.78 113.137 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.66 -43.09 89.76 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.185 -1.572 . . . . 29.26 113.466 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.464 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.77 -42.2 95.29 Favored 'General case' 0 N--CA 1.407 -2.577 0 CA-C-O 111.768 -3.968 . . . . 39.22 109.362 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.714 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.48 95.33 Favored 'General case' 0 N--CA 1.504 2.273 1 O-C-N 129.342 4.151 . . . . 86.15 110.007 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.7 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 120.979 -1.075 . . . . 44.12 110.75 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.269 2.111 0 C-N-CA 124.565 1.146 . . . . 45.24 111.717 -172.285 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.878 0 N-CA-C 109.281 -1.527 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 106.361 -1.718 . . . . 18.43 106.361 177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.07 132.81 49.94 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 106.101 -1.815 . . . . 72.87 106.101 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.85 116.29 52.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 121.944 2.156 . . . . 16.89 105.247 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.1 125.79 53.91 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 120.518 -1.364 . . . . 39.66 108.693 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.82 37.29 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 121.801 2.091 . . . . 18.55 115.919 -175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.28 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.312 -0.996 . . . . 15.34 108.312 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.09 135.43 11.95 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 105.86 -1.904 . . . . 42.67 105.86 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.58 145.1 57.14 Favored 'Trans proline' 0 N--CA 1.442 -1.55 0 C-N-CA 123.118 2.545 . . . . 20.98 114.637 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.89 -162.24 37.25 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 108.914 -1.674 . . . . 24.91 108.914 171.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -78.25 -9.37 59.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.65 66.6 Favored Glycine 0 CA--C 1.524 0.643 0 O-C-N 121.704 -0.622 . . . . 19.67 114.427 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.2 -42.54 0.72 Allowed 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.399 1.599 . . . . 98.27 112.183 -174.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.09 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.349 1.06 . . . . 20.68 112.344 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.27 148.49 39.66 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-O 115.636 -2.126 . . . . 22.03 108.465 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.555 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.08 145.84 96.38 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.711 2.941 . . . . 27.68 111.278 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.94 153.16 21.78 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 105.872 -1.899 . . . . 88.66 105.872 170.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.78 45.17 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.11 63.76 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-O 118.516 -1.158 . . . . 28.49 112.607 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.58 151.77 30.46 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 121.139 2.47 . . . . 35.54 109.754 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.84 120.46 26.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 125.313 1.633 . . . . 23.17 109.112 170.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.82 135.3 35.28 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 107.704 -1.221 . . . . 17.72 107.704 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.77 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.432 -1.692 . . . . 14.36 106.432 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.34 157.47 42.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 O-C-N 121.61 -0.681 . . . . 11.27 112.206 -170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.19 37.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.28 -1.007 . . . . 20.93 108.28 158.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.53 155.56 44.36 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.513 0.673 . . . . 14.55 112.435 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.15 132.23 47.3 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 104.133 -2.544 . . . . 14.19 104.133 166.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.11 17.01 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.429 -1.068 . . . . 15.91 110.429 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 122.014 0.911 . . . . 33.26 109.364 173.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.8 mt -74.93 142.57 43.98 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.244 -1.391 . . . . 36.95 107.244 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.16 6.81 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.705 1.593 . . . . 72.56 109.466 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.24 45.44 23.37 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 124.526 2.108 . . . . 71.74 115.78 -172.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.05 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-N 111.751 -2.477 . . . . 48.7 111.019 -175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.61 135.68 43.86 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.721 -168.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.81 129.51 40.11 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 108.331 -0.989 . . . . 73.09 108.331 160.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.81 -18.27 11.86 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 118.55 -0.738 . . . . 20.97 111.062 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.15 151.51 15.86 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 121.725 2.057 . . . . 22.26 113.375 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.38 128.69 7.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.602 -1.629 . . . . 23.31 106.602 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.18 -19.9 61.01 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.147 -0.621 . . . . 19.07 111.285 172.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.39 96.16 Favored 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.717 -1.24 . . . . 50.14 110.986 -177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.84 -41.4 61.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 124.27 1.986 . . . . 77.19 112.373 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.24 -7.82 59.64 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.385 -2.643 . . . . 68.77 112.554 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.838 0.855 . . . . 92.53 111.49 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.32 24.54 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 120.291 -1.506 . . . . 86.18 108.143 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.17 152.52 40.07 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.655 2.903 . . . . 32.99 107.743 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -94.98 140.69 29.61 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 112.069 -2.332 . . . . 21.39 106.332 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.461 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.496 -1.668 . . . . 31.31 106.496 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.69 158.83 44.42 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.952 -1.022 . . . . 24.29 108.529 172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.7 124.06 44.57 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 122.39 1.091 . . . . 52.57 108.372 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.49 136.97 52.16 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.032 -1.44 . . . . 23.88 108.515 -175.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 117.664 -1.631 . . . . 41.17 114.718 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.2 9.92 34.03 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 121.386 2.593 . . . . 79.21 115.053 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.43 12.83 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 116.847 2.165 . . . . 66.86 116.847 -171.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.57 61.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 120.73 -1.231 . . . . 26.18 112.468 173.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.765 0.793 . . . . 13.3 110.501 -174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.69 2.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-O 122.024 0.916 . . . . 11.35 112.657 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.32 -38.63 74.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.415 1.635 . . . . 64.64 115.415 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.95 -31.57 76.79 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-O 118.867 -0.963 . . . . 12.57 113.869 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.18 48.18 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-O 118.264 -0.874 . . . . 14.82 108.745 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.71 82.58 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 119.556 1.071 . . . . 44.5 112.081 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -79.89 -34.09 39.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 114.217 1.192 . . . . 52.63 114.217 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.12 21.01 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.569 -0.613 . . . . 14.21 111.569 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.54 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 112.444 0.535 . . . . 13.3 112.444 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.25 -24.82 45.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.192 1.923 . . . . 11.35 116.192 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 120.398 -1.439 . . . . 18.89 111.711 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.98 27.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.402 -1.333 . . . . 14.13 107.402 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.45 163.19 12.4 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.408 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.84 130.69 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.505 0 CA-C-N 118.464 0.575 . . . . 22.97 109.857 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.6 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.432 1.082 . . . . 16.68 113.178 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.9 144.39 45.38 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.793 -0.828 . . . . 16.0 109.483 -174.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.17 130.67 56.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.972 -1.862 . . . . 19.71 105.972 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.78 44.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 122.379 1.085 . . . . 11.91 113.592 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.86 35.04 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 104.291 -2.485 . . . . 40.73 104.291 170.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.85 39.94 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.52 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.6 m -104.24 123.95 48.26 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 121.367 1.894 . . . . 13.86 107.432 172.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.63 125.12 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.527 1.632 . . . . 11.09 107.442 -167.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.3 p -73.63 158.42 86.31 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 117.017 -1.468 . . . . 15.98 108.398 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.21 -36.34 99.05 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 124.976 3.784 . . . . 16.36 112.688 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.14 63.46 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 114.196 1.184 . . . . 25.87 114.196 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.13 38.72 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.345 -0.847 . . . . 40.19 111.263 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 105.504 -2.035 . . . . 14.63 105.504 -174.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.6 26.58 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 116.934 -3.604 . . . . 14.49 114.862 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.41 -146.82 50.62 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 115.366 0.906 . . . . 13.72 115.366 166.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.34 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 118.579 -1.249 . . . . 19.9 112.05 -172.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.32 13.49 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.916 -1.74 . . . . 46.16 112.043 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.92 -169.55 54.64 Favored Glycine 0 CA--C 1.533 1.217 0 N-CA-C 108.703 -1.759 . . . . 15.03 108.703 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.25 37.3 Favored Pre-proline 0 N--CA 1.438 -1.059 0 N-CA-C 103.807 -2.664 . . . . 16.17 103.807 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.95 127.04 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.433 0 C-N-CA 124.72 3.614 . . . . 47.23 114.87 -170.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.7 27.98 Favored Glycine 0 N--CA 1.437 -1.279 0 CA-C-N 114.145 -1.388 . . . . 25.36 112.761 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.73 -56.89 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 120.75 2.275 . . . . 20.7 109.071 -167.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.383 0 O-C-N 119.18 -2.2 . . . . 20.63 105.509 -170.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.78 162.94 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 124.632 3.555 . . . . 23.63 112.279 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -53.22 142.64 55.42 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.859 3.039 . . . . 17.49 110.228 168.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.18 37.15 20.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 112.809 -1.996 . . . . 28.26 112.115 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-N 120.197 1.362 . . . . 16.1 112.667 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.2 m -82.02 132.97 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.895 -1.15 . . . . 15.74 107.895 167.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.89 140.0 48.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.727 -1.212 . . . . 14.61 107.727 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.61 128.25 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 CA-C-O 122.138 0.97 . . . . 14.46 109.049 169.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.02 50.24 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.825 -1.08 . . . . 14.6 110.959 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.3 116.87 31.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 105.643 -1.984 . . . . 15.34 105.643 166.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.11 130.81 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 CA-C-N 120.414 1.461 . . . . 15.13 107.697 -172.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.83 118.16 31.27 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.225 -1.028 . . . . 35.49 108.225 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.24 102.82 14.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 123.145 1.45 . . . . 17.35 108.242 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.52 -45.99 42.17 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.256 -1.793 . . . . 26.84 114.863 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.57 153.89 6.46 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.06 -1.459 . . . . 74.94 107.06 -163.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.43 49.08 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 107.066 -1.457 . . . . 28.26 107.066 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 108.195 -1.039 . . . . 62.18 108.195 171.398 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.781 0 CA-C-O 124.854 2.264 . . . . 73.77 115.642 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.57 113.42 20.69 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 102.429 -3.175 . . . . 35.3 102.429 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.88 141.25 15.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 1 C-N-CA 109.862 -4.735 . . . . 39.45 109.811 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.19 153.62 39.41 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 114.941 -2.704 . . . . 43.73 108.736 -172.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.51 -29.66 69.82 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 115.921 -1.99 . . . . 34.48 108.543 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.4 -47.21 69.74 Favored 'General case' 0 C--N 1.287 -2.113 0 C-N-CA 130.649 3.58 . . . . 53.71 109.081 173.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.65 66.23 Favored 'General case' 0 C--N 1.375 1.715 0 O-C-N 119.887 -1.758 . . . . 63.11 109.815 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.03 -40.37 71.76 Favored 'General case' 1 N--CA 1.57 5.565 0 C-N-CA 112.079 -3.848 . . . . 48.7 103.322 -167.065 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.55 -37.09 85.71 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 115.48 1.659 . . . . 29.05 115.48 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -65.73 -46.61 78.24 Favored 'General case' 0 C--O 1.282 2.811 0 N-CA-C 106.899 -1.519 . . . . 35.1 106.899 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.57 -41.53 88.45 Favored 'General case' 0 C--O 1.278 2.575 0 N-CA-C 114.203 1.186 . . . . 61.75 114.203 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.58 -44.19 95.42 Favored Glycine 0 CA--C 1.566 3.238 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.573 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.02 -44.0 93.92 Favored 'General case' 0 C--O 1.286 3.009 0 O-C-N 125.365 1.274 . . . . 25.27 108.63 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.28 -47.52 81.22 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 128.712 2.805 . . . . 49.28 109.31 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.26 -42.75 65.24 Favored 'General case' 0 C--O 1.188 -2.16 0 O-C-N 124.814 1.321 . . . . 58.72 110.387 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.39 83.27 Favored 'General case' 0 CA--C 1.569 1.681 0 CA-C-O 117.091 -1.433 . . . . 26.56 107.757 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -35.95 76.09 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.892 -1.923 . . . . 29.49 115.291 174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.88 96.26 Favored 'General case' 0 C--O 1.297 3.595 0 C-N-CA 116.83 -1.948 . . . . 86.67 114.589 174.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.46 -40.45 91.23 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.114 -2.241 . . . . 37.87 114.503 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.22 -61.87 1.82 Allowed 'General case' 0 CA--C 1.596 2.75 0 CA-C-O 116.655 -1.641 . . . . 39.32 107.199 -173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.71 -37.99 64.98 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 115.741 1.756 . . . . 37.26 115.741 -174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.409 -3.156 0 C-N-CA 126.201 1.858 . . . . 50.14 109.13 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.64 -6.7 45.83 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 118.972 2.953 . . . . 83.84 118.972 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.14 32.74 20.72 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-O 117.678 -1.153 . . . . 55.11 110.092 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.71 93.23 4.46 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 124.563 1.164 . . . . 34.24 111.87 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.91 -42.19 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.838 0 C-N-CA 125.942 1.697 . . . . 33.92 106.878 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.687 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.89 -42.36 68.59 Favored 'General case' 0 C--O 1.276 2.495 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.185 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.56 60.3 Favored Glycine 1 C--O 1.104 -7.992 0 N-CA-C 107.015 -2.434 . . . . 26.89 107.015 -173.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.23 -40.64 71.11 Favored 'General case' 0 C--O 1.284 2.875 0 O-C-N 118.606 -2.702 . . . . 31.12 116.371 172.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.39 -44.65 82.5 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 115.548 -2.168 . . . . 36.8 112.189 172.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.687 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.14 -41.56 71.92 Favored 'General case' 0 N--CA 1.406 -2.626 1 O-C-N 129.536 4.273 . . . . 55.15 110.573 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.57 -48.79 79.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-O 116.106 -1.902 . . . . 28.85 113.367 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.02 -27.35 57.33 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 120.86 1.664 . . . . 32.61 111.214 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.34 -40.28 58.02 Favored Pre-proline 0 N--CA 1.506 2.336 0 CA-C-N 121.235 1.834 . . . . 77.99 115.787 -173.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.0 -27.25 17.56 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 123.99 3.127 . . . . 37.5 110.638 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.9 mt -69.09 -46.71 67.08 Favored 'General case' 0 C--O 1.288 3.119 0 C-N-CA 113.962 -3.095 . . . . 38.03 111.528 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.86 -38.57 86.01 Favored 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 117.109 -1.836 . . . . 28.46 112.068 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.87 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.199 0 CA-C-O 115.096 -2.383 . . . . 33.73 108.493 -175.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.87 -43.0 99.73 Favored 'General case' 0 N--CA 1.501 2.079 0 C-N-CA 114.52 -2.872 . . . . 83.57 115.74 169.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.431 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.8 mmm -56.02 -44.78 79.06 Favored 'General case' 0 C--O 1.218 -0.567 1 O-C-N 116.017 -4.177 . . . . 45.57 109.388 173.054 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.72 -40.23 62.83 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 124.918 1.386 . . . . 75.24 112.932 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.86 -32.7 74.52 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 115.231 -2.318 . . . . 91.25 111.142 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.58 152.31 12.15 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-N 121.803 2.092 . . . . 53.21 112.629 176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -70.87 141.44 40.73 Favored 'Trans proline' 0 N--CA 1.419 -2.886 0 C-N-CA 123.396 2.731 . . . . 40.63 111.808 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.57 1.18 9.48 Favored 'General case' 1 C--O 1.141 -4.652 0 O-C-N 117.918 -2.989 . . . . 76.62 115.435 174.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.18 163.11 23.86 Favored 'General case' 0 C--O 1.285 2.936 0 O-C-N 120.143 -1.598 . . . . 36.06 111.479 170.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.21 86.04 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.776 -1.827 . . . . 38.7 109.144 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.98 -32.09 73.51 Favored 'General case' 0 C--O 1.303 3.89 0 C-N-CA 127.285 2.234 . . . . 50.36 111.008 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.82 -38.73 67.07 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-O 124.997 2.332 . . . . 33.39 107.37 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.39 -41.07 81.04 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-N 113.206 -1.815 . . . . 39.1 109.359 -174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.49 -34.83 65.5 Favored 'General case' 0 N--CA 1.527 3.385 0 C-N-CA 115.015 -2.674 . . . . 32.16 106.43 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.52 -43.69 98.4 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 120.51 1.504 . . . . 31.86 109.67 174.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.0 -42.19 94.71 Favored 'General case' 0 C--O 1.256 1.43 0 C-N-CA 119.624 -0.83 . . . . 38.09 111.845 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.25 -44.26 71.62 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.551 1.686 . . . . 28.08 115.551 171.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.18 -38.95 34.59 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 127.677 3.11 . . . . 28.68 113.16 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.42 1.25 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.479 -3.629 . . . . 42.11 112.061 -170.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.14 -50.65 50.19 Favored Glycine 0 C--O 1.169 -3.922 0 CA-C-N 122.059 2.208 . . . . 31.31 108.583 -167.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.1 94.36 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 117.69 -1.604 . . . . 88.51 112.324 -177.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.74 90.84 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.583 -1.323 . . . . 40.94 110.651 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.07 -37.29 81.1 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 116.627 -2.029 . . . . 25.06 110.987 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.85 -46.02 91.26 Favored 'General case' 0 CA--C 1.559 1.322 0 O-C-N 120.9 -1.125 . . . . 63.84 109.214 175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.57 -41.58 86.03 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 117.526 -1.226 . . . . 46.34 113.23 173.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.55 94.07 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 120.083 1.31 . . . . 30.52 108.09 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.17 -38.56 76.89 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 115.337 -2.268 . . . . 46.04 114.921 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.53 -41.94 99.19 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 122.827 2.558 . . . . 79.1 110.177 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.3 -46.46 88.51 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 118.284 -1.366 . . . . 45.28 111.868 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.48 -45.63 80.86 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.594 -3.242 . . . . 37.28 111.105 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.98 -32.32 72.77 Favored 'General case' 0 C--O 1.269 2.082 0 O-C-N 120.149 -1.595 . . . . 45.73 109.305 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.96 -41.92 97.3 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 124.506 2.098 . . . . 72.23 113.695 175.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.3 -39.66 91.3 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.403 -1.726 . . . . 34.96 113.793 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.63 -41.8 74.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 127.521 3.013 . . . . 46.8 108.08 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.8 13.15 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.495 -0.928 . . . . 70.07 108.495 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.37 -34.5 58.9 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 116.952 -3.592 . . . . 41.74 115.453 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.58 15.12 75.3 Favored Glycine 0 N--CA 1.493 2.455 2 O-C-N 114.144 -5.348 . . . . 28.2 111.085 -169.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.64 110.64 22.79 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.646 -176.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.42 -26.41 9.33 Favored 'Isoleucine or valine' 1 C--O 1.318 4.659 0 CA-C-N 124.119 3.145 . . . . 42.78 115.159 -178.99 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.12 -31.3 67.04 Favored 'General case' 0 N--CA 1.424 -1.755 1 O-C-N 116.292 -4.005 . . . . 73.61 113.491 171.473 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.23 -36.82 77.61 Favored 'General case' 0 C--O 1.263 1.813 0 C-N-CA 115.229 -2.588 . . . . 40.58 109.777 174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.48 -27.81 61.59 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.195 -1.402 . . . . 43.18 111.641 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.45 -40.69 96.22 Favored 'General case' 1 N--CA 1.543 4.217 1 C-N-CA 110.062 -4.655 . . . . 44.02 105.584 179.024 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.4 mm100 -59.47 -33.56 71.46 Favored 'General case' 0 N--CA 1.521 3.117 1 CA-C-O 128.892 4.186 . . . . 58.1 109.832 -171.488 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.1 -36.84 84.24 Favored 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 108.465 -3.97 . . . . 24.53 111.091 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.16 -21.79 61.39 Favored 'General case' 0 C--N 1.414 3.373 0 CA-C-O 116.522 -1.704 . . . . 33.52 111.559 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.49 -40.21 81.0 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 121.164 1.802 . . . . 40.54 108.512 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.27 -37.01 66.43 Favored 'General case' 0 C--O 1.278 2.568 0 CA-C-O 114.222 -2.799 . . . . 30.94 108.873 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.31 -39.7 92.81 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 127.05 2.719 . . . . 25.15 111.053 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.91 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 116.224 -1.846 . . . . 27.38 106.408 -174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.71 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.4 t60 -58.85 -46.62 87.3 Favored 'General case' 0 N--CA 1.512 2.643 0 CA-C-O 116.635 -1.65 . . . . 51.51 107.904 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.3 t -54.4 -49.66 63.21 Favored 'Isoleucine or valine' 0 C--O 1.266 1.931 0 O-C-N 125.357 1.661 . . . . 24.78 113.084 173.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.73 -43.1 90.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 120.245 -1.535 . . . . 29.26 113.44 -175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.461 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.71 -42.24 95.41 Favored 'General case' 0 N--CA 1.406 -2.664 0 CA-C-O 111.717 -3.992 . . . . 39.22 109.364 176.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.71 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.56 95.5 Favored 'General case' 0 N--CA 1.505 2.312 1 O-C-N 129.43 4.206 . . . . 86.15 109.914 -178.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.69 -28.59 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 120.917 -1.114 . . . . 44.12 110.691 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.269 2.131 0 C-N-CA 124.479 1.111 . . . . 45.24 111.69 -172.312 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.919 0 N-CA-C 109.281 -1.528 . . . . 16.11 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.14 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 106.376 -1.713 . . . . 18.43 106.376 177.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.09 132.75 50.02 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.13 -1.804 . . . . 72.87 106.13 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.76 116.29 52.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 121.941 2.155 . . . . 16.89 105.295 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 120.55 -1.344 . . . . 39.66 108.784 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.82 128.79 37.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 121.813 2.097 . . . . 18.55 115.935 -175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.6 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.39 11.91 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.54 145.13 57.49 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 C-N-CA 123.091 2.527 . . . . 20.98 114.628 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.91 -162.18 37.19 Favored Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 108.893 -1.683 . . . . 24.91 108.893 171.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.68 66.64 Favored Glycine 0 CA--C 1.523 0.574 0 O-C-N 121.665 -0.647 . . . . 19.67 114.385 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.18 -42.55 0.72 Allowed 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.459 1.63 . . . . 98.27 112.217 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.12 103.62 15.58 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.359 1.064 . . . . 20.68 112.31 -176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-O 115.645 -2.121 . . . . 22.03 108.444 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.81 96.5 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.715 2.943 . . . . 27.68 111.268 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.93 153.14 21.8 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 105.904 -1.887 . . . . 88.66 105.904 170.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.79 44.94 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.147 -1.057 . . . . 99.06 108.147 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.15 63.67 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 118.486 -1.175 . . . . 28.49 112.558 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.54 151.75 30.54 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 121.226 2.513 . . . . 35.54 109.764 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 125.296 1.622 . . . . 23.17 109.14 170.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.88 135.25 35.4 Favored 'General case' 0 C--O 1.256 1.419 0 N-CA-C 107.702 -1.221 . . . . 17.72 107.702 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.73 118.48 57.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.374 -1.713 . . . . 14.36 106.374 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.37 157.45 42.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 121.657 -0.652 . . . . 11.27 112.247 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.96 144.24 37.17 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.307 -0.998 . . . . 20.93 108.307 158.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.54 44.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.511 0.672 . . . . 14.55 112.437 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.1 m -129.13 132.25 47.34 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 104.146 -2.539 . . . . 14.19 104.146 166.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.54 142.1 16.99 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.385 -1.086 . . . . 15.91 110.385 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.32 43.75 Favored 'General case' 0 C--O 1.242 0.667 0 CA-C-O 121.972 0.891 . . . . 33.26 109.358 173.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.85 142.53 44.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 117.223 -1.37 . . . . 36.95 107.324 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.13 6.72 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 120.698 1.59 . . . . 72.56 109.484 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.27 45.46 23.43 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 124.481 2.086 . . . . 71.74 115.722 -172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.57 6.78 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 111.76 -2.473 . . . . 48.7 111.009 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.65 135.67 43.79 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.677 -168.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.78 129.49 40.04 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.361 -0.977 . . . . 73.09 108.361 160.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.78 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-O 118.511 -0.757 . . . . 20.97 111.084 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.51 15.77 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 121.677 2.035 . . . . 22.26 113.358 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.6 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 106.575 -1.639 . . . . 23.31 106.575 174.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.4 p -73.26 -19.84 60.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 120.201 -0.6 . . . . 19.07 111.293 172.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.38 96.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 120.694 -1.254 . . . . 50.14 110.992 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.4 61.68 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 124.276 1.989 . . . . 77.19 112.367 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.3 -7.8 59.63 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 111.41 -2.632 . . . . 68.77 112.574 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 59.99 13.58 3.8 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.876 0.87 . . . . 92.53 111.401 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.24 129.23 24.55 Favored Pre-proline 0 C--O 1.24 0.59 0 O-C-N 120.324 -1.485 . . . . 86.18 108.163 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -75.1 152.58 40.47 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.663 2.909 . . . . 32.99 107.808 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -95.02 140.67 29.65 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 112.089 -2.323 . . . . 21.39 106.32 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.458 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 106.545 -1.65 . . . . 31.31 106.545 178.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.72 158.81 44.41 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 122.178 0.989 . . . . 24.29 108.432 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.3 ttm -99.66 124.05 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.47 1.129 . . . . 52.57 108.396 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.49 137.0 52.2 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.03 -1.441 . . . . 23.88 108.508 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.69 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.658 -1.635 . . . . 41.17 114.701 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.16 9.9 34.02 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 121.396 2.598 . . . . 79.21 115.145 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.49 12.89 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.808 2.151 . . . . 66.86 116.808 -171.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.63 61.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.704 -1.248 . . . . 26.18 112.473 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.42 167.48 18.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.815 0.817 . . . . 13.3 110.489 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.49 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 122.025 0.916 . . . . 11.35 112.696 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.44 -38.53 74.55 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.61 77.22 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-O 118.864 -0.965 . . . . 12.57 113.849 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.13 48.83 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 118.284 -0.865 . . . . 14.82 108.778 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.97 -45.73 82.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 119.546 1.066 . . . . 44.5 112.044 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -79.97 -34.04 38.99 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 114.166 1.173 . . . . 52.63 114.166 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.11 21.12 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.584 -0.606 . . . . 14.21 111.584 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.52 -33.27 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.409 0.522 . . . . 13.3 112.409 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.15 -24.92 44.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.189 1.922 . . . . 11.35 116.189 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.32 33.6 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 120.385 -1.447 . . . . 18.89 111.686 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.01 27.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.409 -1.33 . . . . 14.13 107.409 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.5 163.17 12.4 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.65 -0.82 . . . . 15.47 112.366 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.5 t -58.79 130.63 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 118.497 0.59 . . . . 22.97 109.866 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.64 61.58 Favored Glycine 0 CA--C 1.528 0.877 0 O-C-N 124.447 1.092 . . . . 16.68 113.122 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.44 45.28 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 121.791 -0.829 . . . . 16.0 109.454 -174.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.67 56.19 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.79 44.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.371 1.082 . . . . 11.91 113.593 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.9 35.17 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.224 -2.51 . . . . 40.73 104.224 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.58 119.79 39.8 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 117.925 -1.036 . . . . 26.74 108.531 175.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.4 m -104.22 123.94 48.23 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 121.449 1.932 . . . . 13.86 107.383 172.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.63 125.17 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.545 1.641 . . . . 11.09 107.404 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.6 p -73.62 158.4 86.36 Favored Pre-proline 0 CA--C 1.515 -0.387 0 CA-C-O 117.034 -1.46 . . . . 15.98 108.389 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.15 -36.41 99.13 Favored 'Trans proline' 0 CA--C 1.504 -0.996 0 C-N-CA 124.977 3.784 . . . . 16.36 112.722 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.206 1.187 . . . . 25.87 114.206 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.05 7.06 39.0 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.315 -0.865 . . . . 40.19 111.237 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.57 0.22 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.45 2.62 26.49 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.012 -3.555 . . . . 14.49 114.857 -174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.85 50.65 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 115.356 0.903 . . . . 13.72 115.356 165.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.82 59.75 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 118.562 -1.255 . . . . 19.9 112.027 -172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.29 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.876 -1.765 . . . . 46.16 112.034 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.532 1.156 0 N-CA-C 108.747 -1.741 . . . . 15.03 108.747 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.31 37.32 Favored Pre-proline 0 N--CA 1.438 -1.062 0 N-CA-C 103.748 -2.686 . . . . 16.17 103.748 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -48.01 127.0 14.09 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 C-N-CA 124.719 3.612 . . . . 47.23 114.888 -170.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.17 -20.67 28.38 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.133 -1.394 . . . . 25.36 112.716 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.77 -56.87 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 120.761 2.281 . . . . 20.7 109.064 -167.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.6 124.55 31.64 Favored Pre-proline 0 N--CA 1.467 0.376 0 O-C-N 119.146 -2.221 . . . . 20.63 105.483 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.77 162.91 40.26 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.637 3.558 . . . . 23.63 112.262 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -53.26 142.69 55.65 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 123.819 3.013 . . . . 17.49 110.22 168.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.11 37.25 21.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.128 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 120.179 1.354 . . . . 16.1 112.642 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.1 m -82.1 133.03 35.25 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.883 -1.155 . . . . 15.74 107.883 167.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.87 140.03 48.68 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.737 -1.209 . . . . 14.61 107.737 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.64 128.23 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-O 122.111 0.958 . . . . 14.46 109.044 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -117.68 139.99 50.26 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.901 -1.045 . . . . 14.6 111.009 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.22 116.83 31.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.706 -1.961 . . . . 15.34 105.706 166.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.13 130.86 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.479 1.491 . . . . 15.13 107.634 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.23 31.43 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.193 -1.04 . . . . 35.49 108.193 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.27 102.76 14.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 123.104 1.43 . . . . 17.35 108.28 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.45 -46.02 42.55 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.296 -1.775 . . . . 26.84 114.857 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.85 6.36 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 106.974 -1.491 . . . . 74.94 106.974 -163.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.12 140.45 49.06 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 107.053 -1.462 . . . . 28.26 107.053 172.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.424 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.866 0 CA-C-O 124.914 2.293 . . . . 73.77 115.638 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.43 20.78 Favored 'General case' 0 C--N 1.281 -2.375 0 N-CA-C 102.433 -3.173 . . . . 35.3 102.433 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.94 141.31 15.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.839 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 24.9 mt -74.23 153.64 39.35 Favored 'General case' 0 C--O 1.257 1.46 0 C-N-CA 114.948 -2.701 . . . . 43.73 108.715 -172.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.7 m0 -66.51 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 115.954 -1.974 . . . . 34.48 108.488 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.53 -47.1 70.25 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 130.548 3.539 . . . . 53.71 109.153 173.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.66 -40.57 66.24 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 119.837 -1.789 . . . . 63.11 109.844 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.08 -40.36 71.61 Favored 'General case' 1 N--CA 1.571 5.578 0 C-N-CA 112.135 -3.826 . . . . 48.7 103.232 -167.031 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.62 -37.05 85.5 Favored 'General case' 0 C--N 1.373 1.613 0 N-CA-C 115.387 1.625 . . . . 29.05 115.387 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.79 -46.55 78.28 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.92 -1.511 . . . . 35.1 106.92 -176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.64 -41.53 88.13 Favored 'General case' 0 C--O 1.278 2.561 0 N-CA-C 114.14 1.163 . . . . 61.75 114.14 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.56 -44.27 95.35 Favored Glycine 0 CA--C 1.566 3.228 0 CA-C-O 116.48 -2.289 . . . . 29.17 112.546 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.98 -43.92 94.25 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 125.264 1.214 . . . . 25.27 108.659 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.6 81.21 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 128.685 2.794 . . . . 49.28 109.251 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.13 -42.88 65.51 Favored 'General case' 0 C--O 1.188 -2.173 0 O-C-N 124.862 1.351 . . . . 58.72 110.346 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.33 83.47 Favored 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.054 -1.45 . . . . 26.56 107.773 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.98 -36.0 76.21 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 116.849 -1.94 . . . . 29.49 115.275 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.84 96.44 Favored 'General case' 0 C--O 1.296 3.514 0 C-N-CA 116.855 -1.938 . . . . 86.67 114.65 174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.54 -40.31 91.09 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.102 -2.249 . . . . 37.87 114.458 175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -81.32 -61.81 1.84 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.683 -1.627 . . . . 39.32 107.191 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.68 -37.96 65.07 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 115.903 1.816 . . . . 37.26 115.903 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.39 -52.92 4.02 Favored Glycine 0 N--CA 1.41 -3.091 0 C-N-CA 126.148 1.832 . . . . 50.14 109.154 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.7 -6.64 45.77 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 118.963 2.949 . . . . 83.84 118.963 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.74 20.64 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.176 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.76 93.15 4.41 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.63 1.206 . . . . 34.24 111.892 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.7 t -72.72 -42.14 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.936 0 C-N-CA 125.937 1.695 . . . . 33.92 107.093 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.279 2.615 0 C-N-CA 116.107 -2.237 . . . . 74.08 112.209 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.88 -42.58 60.28 Favored Glycine 1 C--O 1.104 -7.977 0 N-CA-C 107.047 -2.421 . . . . 26.89 107.047 -173.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.38 -40.64 71.59 Favored 'General case' 0 C--O 1.284 2.869 0 O-C-N 118.597 -2.707 . . . . 31.12 116.201 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.22 -44.8 82.81 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.257 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.09 -41.54 71.73 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.622 4.326 . . . . 55.15 110.544 -178.153 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 77.0 t -66.66 -48.72 79.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 116.195 -1.859 . . . . 28.85 113.304 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.06 -27.35 57.23 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.931 1.696 . . . . 32.61 111.193 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.14 -40.42 61.1 Favored Pre-proline 0 N--CA 1.506 2.367 0 CA-C-N 121.252 1.842 . . . . 77.99 115.895 -173.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.92 -27.29 17.75 Favored 'Trans proline' 0 N--CA 1.444 -1.411 0 C-N-CA 123.92 3.08 . . . . 37.5 110.664 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.7 mt -69.03 -46.76 67.11 Favored 'General case' 0 C--O 1.289 3.152 0 C-N-CA 113.952 -3.099 . . . . 38.03 111.593 176.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -60.73 -38.64 85.8 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 117.18 -1.808 . . . . 28.46 112.079 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.33 84.03 Favored 'General case' 1 N--CA 1.542 4.131 0 CA-C-O 115.14 -2.362 . . . . 33.73 108.486 -175.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -61.96 -42.99 99.74 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 114.533 -2.867 . . . . 83.57 115.736 169.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 38.9 mmm -55.97 -44.71 78.79 Favored 'General case' 0 C--O 1.218 -0.598 1 O-C-N 115.987 -4.196 . . . . 45.57 109.459 173.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.62 -40.37 62.68 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 124.985 1.428 . . . . 75.24 112.864 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.8 -32.75 74.59 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 115.188 -2.339 . . . . 91.25 111.134 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.52 152.3 12.19 Favored Glycine 0 N--CA 1.462 0.391 0 CA-C-N 121.778 2.081 . . . . 53.21 112.736 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.84 141.46 40.89 Favored 'Trans proline' 0 N--CA 1.417 -2.973 0 C-N-CA 123.389 2.726 . . . . 40.63 111.882 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.54 0.99 9.48 Favored 'General case' 1 C--O 1.139 -4.744 0 O-C-N 118.064 -2.898 . . . . 76.62 115.388 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.4 p -126.06 163.12 23.75 Favored 'General case' 0 C--O 1.284 2.891 0 O-C-N 120.161 -1.587 . . . . 36.06 111.44 170.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.84 -45.19 86.56 Favored 'General case' 0 N--CA 1.517 2.896 0 O-C-N 119.828 -1.795 . . . . 38.7 109.05 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.04 -32.11 73.54 Favored 'General case' 0 C--O 1.304 3.921 0 C-N-CA 127.255 2.222 . . . . 50.36 110.926 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.75 -38.76 67.28 Favored 'General case' 0 C--N 1.281 -2.383 0 CA-C-O 124.975 2.321 . . . . 33.39 107.377 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.29 -41.21 81.3 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.144 -1.844 . . . . 39.1 109.357 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.44 -34.86 65.63 Favored 'General case' 0 N--CA 1.527 3.38 0 C-N-CA 114.976 -2.69 . . . . 32.16 106.425 -175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.1 t80 -61.59 -43.61 98.55 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 120.473 1.488 . . . . 31.86 109.617 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.04 -42.18 94.52 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.822 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.34 -44.16 71.87 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.527 1.677 . . . . 28.08 115.527 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.05 34.39 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 127.69 3.119 . . . . 28.68 113.153 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.45 1.35 12.33 Favored 'General case' 0 C--O 1.279 2.65 0 CA-C-O 112.55 -3.595 . . . . 42.11 112.062 -170.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.23 -50.63 49.72 Favored Glycine 0 C--O 1.168 -3.971 0 CA-C-N 122.011 2.187 . . . . 31.31 108.545 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.12 94.25 Favored 'General case' 0 C--O 1.257 1.465 0 C-N-CA 117.661 -1.616 . . . . 88.51 112.346 -177.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.76 -43.8 90.42 Favored 'General case' 0 C--O 1.27 2.18 0 O-C-N 120.518 -1.364 . . . . 40.94 110.741 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.06 -37.33 81.17 Favored 'General case' 0 C--O 1.269 2.081 0 C-N-CA 116.701 -2.0 . . . . 25.06 110.966 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.82 -46.04 91.21 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 120.885 -1.135 . . . . 63.84 109.265 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.51 -41.56 85.69 Favored 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.58 -1.2 . . . . 46.34 113.263 173.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.42 94.84 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.927 1.239 . . . . 30.52 108.112 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.19 -38.56 76.95 Favored 'General case' 0 C--N 1.376 1.731 0 CA-C-O 115.377 -2.249 . . . . 46.04 114.964 172.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-N 122.765 2.53 . . . . 79.1 110.169 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.32 -46.45 88.55 Favored 'General case' 0 C--O 1.266 1.945 0 C-N-CA 118.32 -1.352 . . . . 45.28 111.814 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.43 -45.67 80.62 Favored 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 113.735 -3.186 . . . . 37.28 111.065 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.05 -32.37 72.88 Favored 'General case' 0 C--O 1.269 2.107 0 CA-C-O 116.669 -1.634 . . . . 45.73 109.22 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.86 -42.05 97.09 Favored 'General case' 0 C--O 1.259 1.561 0 CA-C-O 124.497 2.094 . . . . 72.23 113.695 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.2 -39.57 90.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 113.366 -1.743 . . . . 34.96 113.846 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.74 -41.86 74.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 127.507 3.005 . . . . 46.8 108.026 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.26 -39.81 13.25 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.548 -0.908 . . . . 70.07 108.548 -173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.8 p -76.42 -34.47 58.8 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 116.942 -3.599 . . . . 41.74 115.417 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.66 15.04 75.46 Favored Glycine 0 N--CA 1.494 2.565 2 O-C-N 114.25 -5.282 . . . . 28.2 111.138 -169.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.6 22.72 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 112.834 -3.46 . . . . 61.4 109.636 -176.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.4 -26.45 9.31 Favored 'Isoleucine or valine' 1 C--O 1.316 4.575 0 CA-C-N 124.209 3.186 . . . . 42.78 115.239 -178.991 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.36 66.96 Favored 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 116.472 -3.893 . . . . 73.61 113.542 171.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.13 -36.84 77.9 Favored 'General case' 0 C--O 1.264 1.858 0 C-N-CA 115.348 -2.541 . . . . 40.58 109.759 174.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.54 -27.72 61.49 Favored 'General case' 0 C--O 1.293 3.35 0 C-N-CA 118.246 -1.381 . . . . 43.18 111.655 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.0 p -64.5 -40.69 96.11 Favored 'General case' 1 N--CA 1.544 4.25 1 C-N-CA 110.036 -4.666 . . . . 44.02 105.565 179.017 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.48 -33.46 71.35 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.93 4.205 . . . . 58.1 109.914 -171.496 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.85 84.11 Favored 'General case' 0 N--CA 1.537 3.9 1 CA-C-N 108.379 -4.01 . . . . 24.53 110.937 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.06 -21.84 61.46 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 116.569 -1.681 . . . . 33.52 111.562 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.45 -40.33 81.13 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 121.166 1.803 . . . . 40.54 108.488 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.14 -37.24 66.7 Favored 'General case' 0 C--O 1.28 2.667 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.838 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.11 -39.67 93.45 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 127.003 2.69 . . . . 25.15 111.194 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.09 77.82 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 116.209 -1.853 . . . . 27.38 106.448 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.4 t60 -58.88 -46.63 87.36 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.906 179.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.9 t -54.33 -49.72 61.98 Favored 'Isoleucine or valine' 0 C--O 1.265 1.876 0 O-C-N 125.249 1.593 . . . . 24.78 113.112 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.78 -42.94 90.18 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.203 -1.561 . . . . 29.26 113.457 -175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.458 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.88 -42.12 95.08 Favored 'General case' 0 N--CA 1.406 -2.652 0 CA-C-O 111.764 -3.969 . . . . 39.22 109.349 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.78 -40.47 95.31 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.328 4.143 . . . . 86.15 109.946 -178.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.81 -28.55 45.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 120.975 -1.078 . . . . 44.12 110.66 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.144 0 C-N-CA 124.496 1.118 . . . . 45.24 111.707 -172.259 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.879 0 N-CA-C 109.267 -1.533 . . . . 16.11 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.28 129.12 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.333 -1.728 . . . . 18.43 106.333 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.78 49.94 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.113 -1.81 . . . . 72.87 106.113 176.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.84 116.3 52.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.973 2.169 . . . . 16.89 105.258 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.08 125.82 53.96 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 120.555 -1.341 . . . . 39.66 108.702 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.9 128.79 37.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.896 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.29 -43.44 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 108.26 -1.015 . . . . 15.34 108.26 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.39 11.93 Favored Pre-proline 0 C--O 1.239 0.532 0 N-CA-C 105.832 -1.914 . . . . 42.67 105.832 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.07 57.62 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.097 2.532 . . . . 20.98 114.679 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.18 37.15 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 108.948 -1.661 . . . . 24.91 108.948 171.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.37 -9.33 59.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 114.973 1.471 . . . . 28.85 114.973 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.67 66.62 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.655 -0.653 . . . . 19.67 114.41 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.66 0.72 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 119.422 1.611 . . . . 98.27 112.192 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.05 103.62 15.57 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.334 1.054 . . . . 20.68 112.379 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.28 148.47 39.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.655 -2.117 . . . . 22.03 108.491 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.82 96.62 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.71 2.94 . . . . 27.68 111.303 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.17 21.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 105.89 -1.893 . . . . 88.66 105.89 170.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.4 132.76 44.89 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.166 -1.05 . . . . 99.06 108.166 171.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.57 -14.15 63.59 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.529 -1.151 . . . . 28.49 112.586 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.53 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.202 2.501 . . . . 35.54 109.757 175.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.82 120.41 26.02 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.122 170.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.25 35.35 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 107.739 -1.208 . . . . 17.72 107.739 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 118.43 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 O-C-N 121.724 -0.61 . . . . 11.27 112.209 -170.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.25 37.28 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.56 155.57 44.34 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.556 0.693 . . . . 14.55 112.379 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.4 m -129.14 132.26 47.32 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 104.119 -2.549 . . . . 14.19 104.119 166.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.06 16.97 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.28 43.75 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.942 0.877 . . . . 33.26 109.417 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.58 120.13 6.74 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.457 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.3 45.51 23.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 124.485 2.088 . . . . 71.74 115.687 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.14 -155.57 6.79 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 111.72 -2.491 . . . . 48.7 110.954 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.6 135.65 43.87 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.912 -2.644 . . . . 83.47 110.713 -168.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.78 129.49 40.03 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.77 -18.24 11.88 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.553 -0.737 . . . . 20.97 111.098 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -162.2 151.48 15.74 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.699 2.045 . . . . 22.26 113.368 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.36 128.73 7.58 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 106.616 -1.624 . . . . 23.31 106.616 174.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.2 -19.92 60.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.256 -0.577 . . . . 19.07 111.249 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.66 -41.39 96.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 120.725 -1.234 . . . . 50.14 110.984 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.79 -41.38 61.65 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 124.292 1.996 . . . . 77.19 112.421 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.29 -7.77 59.63 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 59.97 13.59 3.79 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.872 0.869 . . . . 92.53 111.447 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.22 129.27 24.55 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.231 -1.543 . . . . 86.18 108.176 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.1 152.57 40.46 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.678 2.919 . . . . 32.99 107.759 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -95.0 140.64 29.67 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.319 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.454 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.21 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.465 -1.68 . . . . 31.31 106.465 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.509 172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 123.99 44.48 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 122.359 1.076 . . . . 52.57 108.398 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.3 tp -69.37 136.95 52.42 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.046 -1.434 . . . . 23.88 108.555 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.68 83.04 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.628 -1.651 . . . . 41.17 114.719 173.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.84 34.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 121.352 2.576 . . . . 79.21 115.088 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.72 34.41 12.91 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.849 2.166 . . . . 66.86 116.849 -171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.12 -29.6 61.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.741 -1.224 . . . . 26.18 112.476 173.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.46 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.795 0.807 . . . . 13.3 110.501 -174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.54 153.77 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.033 0.921 . . . . 11.35 112.615 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.43 -38.62 74.68 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.309 1.596 . . . . 64.64 115.309 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.54 76.94 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.859 -0.967 . . . . 12.57 113.868 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.67 -43.3 48.17 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 118.253 -0.88 . . . . 14.82 108.695 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.72 82.46 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.58 1.082 . . . . 44.5 112.074 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.95 -34.05 39.11 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 114.164 1.172 . . . . 52.63 114.164 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.85 -53.17 20.75 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.551 -0.619 . . . . 14.21 111.551 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.51 -33.17 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.458 0.54 . . . . 13.3 112.458 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.91 44.33 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 116.201 1.926 . . . . 11.35 116.201 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.44 13.36 33.59 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.415 -1.428 . . . . 18.89 111.706 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.39 146.99 27.27 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.447 -1.316 . . . . 14.13 107.447 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 119.638 -0.825 . . . . 15.47 112.384 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.83 130.71 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.474 0.579 . . . . 22.97 109.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.75 61.5 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 16.68 113.08 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.85 144.42 45.47 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.799 -0.824 . . . . 16.0 109.504 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.67 56.22 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 105.993 -1.855 . . . . 19.71 105.993 168.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.76 44.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.337 1.065 . . . . 11.91 113.62 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.88 35.11 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.236 -2.505 . . . . 40.73 104.236 171.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.86 39.98 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 117.991 -1.004 . . . . 26.74 108.495 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 36.9 m -104.18 123.9 48.15 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 121.403 1.91 . . . . 13.86 107.44 172.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.7 mt -123.6 125.15 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-O 123.534 1.635 . . . . 11.09 107.422 -167.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.381 0 CA-C-O 117.001 -1.476 . . . . 15.98 108.452 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.26 -36.37 99.0 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 125.023 3.815 . . . . 16.36 112.679 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.18 63.48 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 114.199 1.185 . . . . 25.87 114.199 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.07 7.06 38.95 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.347 -0.846 . . . . 40.19 111.205 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.55 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 105.501 -2.037 . . . . 14.63 105.501 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 117.019 -3.551 . . . . 14.49 114.857 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.85 50.64 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 115.344 0.898 . . . . 13.72 115.344 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.33 -10.87 59.76 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 118.555 -1.258 . . . . 19.9 112.063 -172.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.96 -33.28 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.851 -1.781 . . . . 46.16 112.031 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.86 -169.57 54.67 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 108.723 -1.751 . . . . 15.03 108.723 -177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.1 t60 -119.59 110.34 37.27 Favored Pre-proline 0 N--CA 1.438 -1.026 0 N-CA-C 103.755 -2.683 . . . . 16.17 103.755 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.06 14.31 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.14 -20.7 28.14 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.148 -1.387 . . . . 25.36 112.705 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 52.9 mt -125.75 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.773 2.287 . . . . 20.7 109.054 -167.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.63 124.59 31.54 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 119.156 -2.215 . . . . 20.63 105.489 -170.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.81 162.96 40.09 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.61 3.54 . . . . 23.63 112.295 176.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -53.23 142.66 55.46 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.86 3.04 . . . . 17.49 110.282 168.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.04 37.24 21.25 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.822 -1.99 . . . . 28.26 112.161 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.94 133.61 35.54 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 120.189 1.359 . . . . 16.1 112.696 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.9 m -82.12 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 107.869 -1.16 . . . . 15.74 107.869 167.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.91 140.0 48.74 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.732 -1.21 . . . . 14.61 107.732 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.54 128.25 75.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 122.098 0.951 . . . . 14.46 109.066 169.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.72 140.0 50.27 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.935 -1.029 . . . . 14.6 110.928 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.24 116.8 31.22 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.678 -1.971 . . . . 15.34 105.678 166.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 120.499 1.5 . . . . 15.13 107.666 -172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.89 118.17 31.28 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 108.167 -1.049 . . . . 35.49 108.167 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.5 tp -86.17 102.79 14.22 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.257 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.85 6.34 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.03 -1.47 . . . . 74.94 107.03 -163.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.08 140.41 49.09 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 107.101 -1.444 . . . . 28.26 107.101 172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.172 -1.048 . . . . 62.18 108.172 171.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.556 4.873 0 CA-C-O 124.915 2.293 . . . . 73.77 115.641 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.44 113.5 20.87 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 102.427 -3.175 . . . . 35.3 102.427 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.94 141.26 15.02 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 1 C-N-CA 109.976 -4.69 . . . . 39.45 109.939 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.0 mt -74.2 153.6 39.41 Favored 'General case' 0 C--O 1.258 1.501 0 C-N-CA 114.949 -2.7 . . . . 43.73 108.734 -172.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.45 -29.75 69.95 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 116.029 -1.938 . . . . 34.48 108.543 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.8 OUTLIER -53.38 -47.14 69.73 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 130.509 3.523 . . . . 53.71 109.203 173.445 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.64 -40.49 66.34 Favored 'General case' 0 C--N 1.376 1.755 0 O-C-N 119.909 -1.744 . . . . 63.11 109.887 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.406 50.4 ttm -71.11 -40.32 71.53 Favored 'General case' 1 N--CA 1.57 5.551 0 C-N-CA 112.132 -3.827 . . . . 48.7 103.268 -167.044 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.0 m95 -65.74 -37.06 85.33 Favored 'General case' 0 C--N 1.372 1.547 0 N-CA-C 115.318 1.599 . . . . 29.05 115.318 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.75 -46.58 78.28 Favored 'General case' 0 C--O 1.282 2.802 0 N-CA-C 106.921 -1.511 . . . . 35.1 106.921 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.299 7.6 tt0 -66.57 -41.49 88.51 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 114.215 1.191 . . . . 61.75 114.215 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.09 95.46 Favored Glycine 0 C--O 1.179 -3.313 0 CA-C-O 116.544 -2.254 . . . . 29.17 112.635 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.01 -44.05 93.79 Favored 'General case' 0 C--O 1.285 2.944 0 O-C-N 125.184 1.167 . . . . 25.27 108.591 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.66 80.82 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.648 2.779 . . . . 49.28 109.314 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.1 -42.77 65.72 Favored 'General case' 0 C--O 1.188 -2.18 0 O-C-N 124.803 1.314 . . . . 58.72 110.37 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.36 83.27 Favored 'General case' 0 CA--C 1.569 1.701 0 CA-C-O 116.99 -1.481 . . . . 26.56 107.72 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.0 -35.96 76.15 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.286 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.44 -43.87 96.15 Favored 'General case' 0 C--O 1.296 3.55 0 C-N-CA 116.866 -1.934 . . . . 86.67 114.582 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.39 91.19 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 119.12 -2.238 . . . . 37.87 114.482 175.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.14 -62.02 1.78 Allowed 'General case' 0 CA--C 1.595 2.708 0 CA-C-O 116.747 -1.596 . . . . 39.32 107.185 -173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.6 -37.94 65.28 Favored 'General case' 0 N--CA 1.509 2.493 0 N-CA-C 115.821 1.786 . . . . 37.26 115.821 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.43 -52.94 4.01 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.231 1.872 . . . . 50.14 109.168 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.69 -6.58 45.92 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 119.006 2.965 . . . . 83.84 119.006 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.94 32.91 20.69 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 117.755 -1.116 . . . . 55.11 110.216 -171.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -106.87 93.18 4.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 124.571 1.169 . . . . 34.24 111.863 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.74 -42.23 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.878 0 C-N-CA 126.04 1.736 . . . . 33.92 106.966 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.96 -42.26 68.72 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.067 -2.253 . . . . 74.08 112.247 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.83 -42.65 60.56 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 107.071 -2.412 . . . . 26.89 107.071 -173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.67 71.04 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 118.514 -2.756 . . . . 31.12 116.263 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.33 -44.8 82.34 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 115.526 -2.178 . . . . 36.8 112.152 172.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.06 -41.62 71.72 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.573 4.296 . . . . 55.15 110.545 -178.128 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.56 -48.76 79.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 CA-C-O 116.163 -1.875 . . . . 28.85 113.316 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.03 -27.43 57.34 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 120.907 1.685 . . . . 32.61 111.185 -172.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.26 -40.32 59.14 Favored Pre-proline 0 N--CA 1.507 2.379 0 CA-C-N 121.239 1.836 . . . . 77.99 115.806 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.0 Cg_endo -72.06 -27.16 17.47 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.979 3.119 . . . . 37.5 110.612 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.1 mt -69.18 -46.6 67.1 Favored 'General case' 0 C--O 1.288 3.115 0 C-N-CA 113.924 -3.11 . . . . 38.03 111.629 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.81 -38.59 85.91 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 117.095 -1.842 . . . . 28.46 112.132 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.89 -36.26 83.79 Favored 'General case' 1 N--CA 1.543 4.186 0 CA-C-O 115.142 -2.361 . . . . 33.73 108.502 -175.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.03 -42.94 99.71 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.737 169.234 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.2 mmm -56.01 -44.73 78.98 Favored 'General case' 0 C--O 1.22 -0.493 1 O-C-N 116.036 -4.165 . . . . 45.57 109.437 173.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.61 -40.3 62.55 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 124.912 1.382 . . . . 75.24 112.94 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.06 -32.52 74.27 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-O 115.11 -2.376 . . . . 91.25 111.061 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.57 152.3 12.15 Favored Glycine 0 N--CA 1.462 0.387 0 CA-C-N 121.914 2.143 . . . . 53.21 112.647 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.82 141.52 41.11 Favored 'Trans proline' 0 N--CA 1.418 -2.963 0 C-N-CA 123.411 2.741 . . . . 40.63 111.851 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.62 1.11 9.44 Favored 'General case' 1 C--O 1.139 -4.742 0 O-C-N 117.944 -2.972 . . . . 76.62 115.441 174.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 163.11 23.93 Favored 'General case' 0 C--O 1.284 2.87 0 O-C-N 120.128 -1.608 . . . . 36.06 111.386 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.71 -45.14 86.14 Favored 'General case' 0 N--CA 1.517 2.903 0 O-C-N 119.853 -1.78 . . . . 38.7 109.135 175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.22 -32.04 73.48 Favored 'General case' 0 C--O 1.302 3.861 0 C-N-CA 127.224 2.21 . . . . 50.36 110.936 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.81 -38.7 67.1 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-O 124.9 2.286 . . . . 33.39 107.287 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.32 -41.19 81.19 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.257 -1.792 . . . . 39.1 109.386 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.91 65.59 Favored 'General case' 0 N--CA 1.527 3.401 0 C-N-CA 115.001 -2.68 . . . . 32.16 106.374 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.48 -43.73 98.35 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 120.487 1.494 . . . . 31.86 109.635 174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.16 94.5 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.626 -0.83 . . . . 38.09 111.778 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.27 -44.27 71.7 Favored 'General case' 0 CA--C 1.6 2.903 0 N-CA-C 115.511 1.671 . . . . 28.08 115.511 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.08 34.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 127.611 3.07 . . . . 28.68 113.22 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.4 1.21 12.34 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.562 -3.589 . . . . 42.11 112.085 -170.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.51 50.42 Favored Glycine 1 C--O 1.168 -4.025 0 CA-C-N 121.99 2.177 . . . . 31.31 108.599 -167.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.22 -45.18 94.11 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 117.55 -1.66 . . . . 88.51 112.322 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.8 -43.69 90.61 Favored 'General case' 0 C--O 1.271 2.197 0 O-C-N 120.563 -1.335 . . . . 40.94 110.694 177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.06 -37.36 81.19 Favored 'General case' 0 C--O 1.267 2.014 0 C-N-CA 116.702 -1.999 . . . . 25.06 110.929 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.79 -46.09 91.05 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 120.905 -1.122 . . . . 63.84 109.189 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.47 -41.61 85.62 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-O 117.617 -1.182 . . . . 46.34 113.315 173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.49 94.22 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.955 1.252 . . . . 30.52 108.22 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.6 77.26 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 115.313 -2.279 . . . . 46.04 114.85 172.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -62.35 -42.15 99.16 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 122.926 2.603 . . . . 79.1 110.187 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.14 -46.47 88.28 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 118.298 -1.361 . . . . 45.28 111.907 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.3 m -56.44 -45.72 80.66 Favored 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 113.692 -3.203 . . . . 37.28 111.055 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -61.96 -32.42 72.85 Favored 'General case' 0 C--O 1.27 2.14 0 O-C-N 120.002 -1.686 . . . . 45.73 109.257 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.87 -41.95 96.93 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-O 124.405 2.05 . . . . 72.23 113.721 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.68 91.21 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.376 -1.738 . . . . 34.96 113.794 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.71 -41.78 74.32 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 127.475 2.985 . . . . 46.8 108.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.83 13.17 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.512 -0.922 . . . . 70.07 108.512 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.2 p -76.49 -34.38 58.64 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.931 -3.606 . . . . 41.74 115.367 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.56 15.13 75.25 Favored Glycine 0 CA--C 1.553 2.424 2 O-C-N 114.075 -5.391 . . . . 28.2 111.16 -169.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.66 110.61 22.75 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 112.825 -3.464 . . . . 61.4 109.6 -176.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.33 -26.5 9.16 Favored 'Isoleucine or valine' 1 C--O 1.316 4.595 0 CA-C-N 124.129 3.15 . . . . 42.78 115.207 -179.044 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.05 -31.3 66.91 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 116.389 -3.944 . . . . 73.61 113.594 171.39 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.27 -36.67 77.32 Favored 'General case' 0 C--O 1.264 1.862 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.833 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.54 -27.8 61.54 Favored 'General case' 0 C--O 1.293 3.345 0 C-N-CA 118.295 -1.362 . . . . 43.18 111.613 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.81 96.51 Favored 'General case' 1 N--CA 1.543 4.206 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.582 179.035 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.3 -33.58 71.27 Favored 'General case' 0 N--CA 1.522 3.142 1 CA-C-O 128.886 4.184 . . . . 58.1 109.862 -171.488 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.94 84.45 Favored 'General case' 0 N--CA 1.538 3.941 1 CA-C-N 108.393 -4.003 . . . . 24.53 110.987 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.05 -21.83 61.47 Favored 'General case' 0 C--N 1.413 3.327 0 CA-C-O 116.552 -1.689 . . . . 33.52 111.567 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.51 -40.22 80.91 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 121.14 1.791 . . . . 40.54 108.531 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.26 -37.07 66.43 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-O 114.227 -2.797 . . . . 30.94 108.874 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.21 -39.63 93.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 127.0 2.688 . . . . 25.15 111.19 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.05 77.59 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 116.149 -1.881 . . . . 27.38 106.419 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG . 56.4 t60 -58.79 -46.75 86.84 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-O 116.666 -1.635 . . . . 51.51 107.901 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.4 t -54.28 -49.72 61.4 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 O-C-N 125.293 1.621 . . . . 24.78 113.145 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.79 -43.03 90.38 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.136 -1.603 . . . . 29.26 113.357 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.9 -42.08 95.06 Favored 'General case' 0 N--CA 1.405 -2.678 1 CA-C-O 111.686 -4.007 . . . . 39.22 109.319 176.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.82 -40.52 95.33 Favored 'General case' 0 N--CA 1.504 2.268 1 O-C-N 129.362 4.164 . . . . 86.15 109.944 -178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.57 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.893 -1.129 . . . . 44.12 110.681 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.27 2.141 0 C-N-CA 124.549 1.14 . . . . 45.24 111.688 -172.238 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 109.235 -1.546 . . . . 16.11 109.235 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.15 59.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.129 -1.804 . . . . 72.87 106.129 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.3 t -113.79 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.946 2.157 . . . . 16.89 105.255 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.548 -1.345 . . . . 39.66 108.722 176.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 121.823 2.102 . . . . 18.55 115.905 -175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.21 -43.46 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.11 135.37 11.9 Favored Pre-proline 0 C--O 1.239 0.511 0 N-CA-C 105.863 -1.902 . . . . 42.67 105.863 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.53 145.11 57.47 Favored 'Trans proline' 0 N--CA 1.443 -1.493 0 C-N-CA 123.102 2.535 . . . . 20.98 114.6 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.86 -162.22 37.2 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.952 -1.659 . . . . 24.91 108.952 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.33 -9.38 59.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.949 1.463 . . . . 28.85 114.949 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.67 15.6 66.69 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 121.643 -0.66 . . . . 19.67 114.39 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.14 -42.57 0.72 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.445 1.622 . . . . 98.27 112.217 -174.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.59 15.55 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.349 1.059 . . . . 20.68 112.374 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.26 148.47 39.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.643 -2.123 . . . . 22.03 108.48 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.92 145.81 96.71 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.755 2.97 . . . . 27.68 111.333 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.94 153.15 21.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 105.895 -1.891 . . . . 88.66 105.895 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.45 132.77 45.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.17 63.57 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.506 -1.163 . . . . 28.49 112.591 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.5 151.76 30.59 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 121.232 2.516 . . . . 35.54 109.738 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.85 120.46 26.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 125.345 1.653 . . . . 23.17 109.13 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.88 135.31 35.34 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 107.677 -1.231 . . . . 17.72 107.677 172.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.3 t -110.76 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 106.414 -1.698 . . . . 14.36 106.414 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.35 157.49 42.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 O-C-N 121.64 -0.663 . . . . 11.27 112.195 -170.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.24 37.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.264 -1.013 . . . . 20.93 108.264 158.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.49 155.54 44.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.476 0.655 . . . . 14.55 112.479 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.4 m -129.07 132.25 47.41 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.133 -2.543 . . . . 14.19 104.133 166.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.05 16.96 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.417 -1.073 . . . . 15.91 110.417 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.4 43.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.953 0.883 . . . . 33.26 109.438 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.96 142.51 43.92 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 107.273 -1.38 . . . . 36.95 107.273 173.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.693 1.588 . . . . 72.56 109.508 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.36 45.42 23.7 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.451 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.54 6.77 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.793 -2.458 . . . . 48.7 110.988 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.68 135.66 43.74 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.711 -168.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.49 40.06 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.332 -0.988 . . . . 73.09 108.332 160.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -113.82 -18.24 11.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 118.533 -0.746 . . . . 20.97 111.083 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.54 15.91 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 121.709 2.049 . . . . 22.26 113.328 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.42 128.72 7.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.24 -19.85 60.98 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 120.226 -0.59 . . . . 19.07 111.256 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.38 96.02 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.741 -1.224 . . . . 50.14 110.951 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.81 -41.38 61.68 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 124.282 1.991 . . . . 77.19 112.411 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 111.376 -2.647 . . . . 68.77 112.618 -174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 60.03 13.51 3.79 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.884 0.874 . . . . 92.53 111.445 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.275 -1.515 . . . . 86.18 108.151 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.11 152.51 40.33 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.708 2.939 . . . . 32.99 107.772 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.0 140.63 29.68 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.342 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.443 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.18 141.39 51.75 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 106.527 -1.657 . . . . 31.31 106.527 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.67 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.991 -1.004 . . . . 24.29 108.523 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.65 124.0 44.45 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.357 1.075 . . . . 52.57 108.424 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.44 137.02 52.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.067 -1.424 . . . . 23.88 108.505 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.64 83.13 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-O 117.684 -1.62 . . . . 41.17 114.719 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.21 9.92 34.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 121.351 2.575 . . . . 79.21 115.136 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.69 34.49 12.99 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.28 -29.49 61.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.702 -1.249 . . . . 26.18 112.466 173.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.5 167.56 18.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.781 0.801 . . . . 13.3 110.476 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.1 pt -57.56 153.7 2.54 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 122.036 0.922 . . . . 11.35 112.632 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.36 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 115.382 1.623 . . . . 64.64 115.382 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.55 76.98 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-O 118.848 -0.973 . . . . 12.57 113.85 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.15 48.42 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.318 -0.848 . . . . 14.82 108.764 174.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.74 82.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.537 1.062 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.01 39.19 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 114.189 1.181 . . . . 52.63 114.189 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.11 20.92 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.528 -0.629 . . . . 14.21 111.528 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.58 -33.19 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 112.415 0.524 . . . . 13.3 112.415 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.89 44.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 116.183 1.92 . . . . 11.35 116.183 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.43 13.41 33.36 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 120.389 -1.444 . . . . 18.89 111.712 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.395 -1.335 . . . . 14.13 107.395 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.644 -0.822 . . . . 15.47 112.377 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.84 130.69 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.436 0.562 . . . . 22.97 109.848 -177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.74 61.51 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.487 1.117 . . . . 16.68 113.128 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.91 144.39 45.36 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.837 -0.802 . . . . 16.0 109.482 -174.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.2 130.63 56.2 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 105.98 -1.859 . . . . 19.71 105.98 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.91 151.76 44.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.305 1.05 . . . . 11.91 113.61 -176.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.283 -2.488 . . . . 40.73 104.283 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.83 39.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 117.972 -1.013 . . . . 26.74 108.463 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.2 m -104.19 123.86 48.07 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 121.422 1.919 . . . . 13.86 107.414 172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.5 mt -123.56 125.13 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-O 123.547 1.642 . . . . 11.09 107.459 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.5 p -73.6 158.44 86.33 Favored Pre-proline 0 CA--C 1.515 -0.397 0 CA-C-O 117.014 -1.469 . . . . 15.98 108.461 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.28 -36.35 98.98 Favored 'Trans proline' 0 CA--C 1.505 -0.963 0 C-N-CA 124.975 3.783 . . . . 16.36 112.671 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.133 1.16 . . . . 25.87 114.133 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.13 7.09 38.79 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.316 -0.865 . . . . 40.19 111.206 174.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.507 -2.035 . . . . 14.63 105.507 -174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -106.47 2.69 26.5 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 116.999 -3.563 . . . . 14.49 114.843 -174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.83 59.74 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 118.5 -1.28 . . . . 19.9 112.034 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -33.34 13.52 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.915 -1.74 . . . . 46.16 112.068 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.61 54.64 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 108.731 -1.747 . . . . 15.03 108.731 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.32 37.3 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.781 -2.674 . . . . 16.17 103.781 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.06 14.25 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.691 3.594 . . . . 47.23 114.891 -170.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.65 28.26 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 114.104 -1.407 . . . . 25.36 112.732 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.79 -56.84 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 120.764 2.282 . . . . 20.7 109.036 -167.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.61 124.56 31.6 Favored Pre-proline 0 N--CA 1.466 0.352 0 O-C-N 119.249 -2.157 . . . . 20.63 105.505 -170.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.73 162.92 40.2 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.644 3.563 . . . . 23.63 112.31 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.64 55.49 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.876 3.05 . . . . 17.49 110.237 168.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 60.07 37.32 21.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 112.848 -1.978 . . . . 28.26 112.092 172.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.55 35.62 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 120.185 1.357 . . . . 16.1 112.661 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.6 m -82.09 133.02 35.25 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 107.866 -1.161 . . . . 15.74 107.866 167.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.86 139.98 48.72 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.53 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 122.077 0.941 . . . . 14.46 109.096 169.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.7 140.04 50.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.951 -1.022 . . . . 14.6 110.966 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.27 116.85 31.36 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 105.671 -1.974 . . . . 15.34 105.671 166.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.15 130.82 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.457 1.48 . . . . 15.13 107.661 -172.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.82 118.24 31.49 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.0 tp -86.29 102.86 14.35 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.146 1.45 . . . . 17.35 108.196 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.58 -45.97 41.76 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.839 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.6 153.92 6.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 106.985 -1.487 . . . . 74.94 106.985 -163.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.45 49.07 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 107.05 -1.463 . . . . 28.26 107.05 172.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 108.221 -1.029 . . . . 62.18 108.221 171.432 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.868 0 CA-C-O 124.87 2.271 . . . . 73.77 115.704 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.5 20.86 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 102.419 -3.178 . . . . 35.3 102.419 -172.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.01 141.3 14.98 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 1 C-N-CA 109.904 -4.718 . . . . 39.45 109.885 173.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.267 25.0 mt -74.21 153.68 39.36 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 114.903 -2.719 . . . . 43.73 108.75 -172.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.56 -29.66 69.79 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.991 -1.957 . . . . 34.48 108.533 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.35 -47.18 69.6 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 130.487 3.515 . . . . 53.71 109.19 173.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.57 -40.59 66.53 Favored 'General case' 0 C--N 1.378 1.811 0 O-C-N 119.795 -1.815 . . . . 63.11 109.901 -175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.7 ttm -71.09 -40.32 71.6 Favored 'General case' 1 N--CA 1.569 5.52 0 C-N-CA 112.073 -3.851 . . . . 48.7 103.262 -166.989 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.61 -37.1 85.63 Favored 'General case' 0 C--N 1.371 1.541 0 N-CA-C 115.38 1.622 . . . . 29.05 115.38 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.72 -46.65 78.15 Favored 'General case' 0 C--O 1.282 2.775 0 N-CA-C 106.942 -1.503 . . . . 35.1 106.942 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.7 tt0 -66.53 -41.45 88.75 Favored 'General case' 0 C--O 1.277 2.55 0 N-CA-C 114.236 1.199 . . . . 61.75 114.236 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.32 95.18 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.412 -2.327 . . . . 29.17 112.53 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.89 -44.01 94.3 Favored 'General case' 0 C--O 1.286 2.992 0 O-C-N 125.306 1.239 . . . . 25.27 108.665 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.44 -47.52 81.58 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 128.663 2.785 . . . . 49.28 109.325 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.17 -42.77 65.53 Favored 'General case' 0 C--O 1.187 -2.198 0 O-C-N 124.893 1.371 . . . . 58.72 110.453 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.38 83.46 Favored 'General case' 0 CA--C 1.568 1.641 0 CA-C-O 117.161 -1.4 . . . . 26.56 107.822 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.93 -36.05 76.21 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 116.904 -1.918 . . . . 29.49 115.266 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.31 -43.91 96.48 Favored 'General case' 0 C--O 1.296 3.516 0 C-N-CA 116.912 -1.915 . . . . 86.67 114.642 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.59 -40.28 91.18 Favored 'General case' 0 N--CA 1.435 -1.212 0 O-C-N 119.093 -2.254 . . . . 37.87 114.473 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.28 -61.86 1.82 Allowed 'General case' 0 CA--C 1.594 2.653 0 CA-C-O 116.658 -1.639 . . . . 39.32 107.183 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.64 -38.05 65.15 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 115.808 1.781 . . . . 37.26 115.808 -174.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -52.96 4.03 Favored Glycine 0 N--CA 1.408 -3.229 0 C-N-CA 126.226 1.87 . . . . 50.14 109.166 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.67 -6.64 45.86 Favored 'General case' 0 C--O 1.247 0.921 0 N-CA-C 119.0 2.963 . . . . 83.84 119.0 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.16 32.69 20.65 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 117.625 -1.179 . . . . 55.11 110.117 -171.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.76 93.2 4.44 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 124.652 1.22 . . . . 34.24 111.855 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.76 -42.31 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 126.133 1.773 . . . . 33.92 106.958 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.82 -42.34 68.34 Favored 'General case' 0 C--O 1.276 2.493 0 C-N-CA 116.051 -2.26 . . . . 74.08 112.247 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.62 60.24 Favored Glycine 1 C--O 1.103 -8.049 0 N-CA-C 107.016 -2.434 . . . . 26.89 107.016 -173.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.22 -40.72 71.14 Favored 'General case' 0 C--O 1.282 2.808 0 O-C-N 118.45 -2.794 . . . . 31.12 116.279 172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.34 -44.68 82.62 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.513 -2.184 . . . . 36.8 112.2 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.18 -41.46 71.95 Favored 'General case' 0 N--CA 1.407 -2.6 1 O-C-N 129.632 4.333 . . . . 55.15 110.595 -178.149 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.59 -48.65 79.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 116.204 -1.855 . . . . 28.85 113.417 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.19 -27.34 56.86 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 120.846 1.657 . . . . 32.61 111.154 -172.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.34 59.18 Favored Pre-proline 0 N--CA 1.506 2.368 0 CA-C-N 121.258 1.844 . . . . 77.99 115.823 -173.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -72.04 -27.11 17.56 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.947 3.098 . . . . 37.5 110.712 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.06 -46.79 66.96 Favored 'General case' 0 C--O 1.289 3.149 0 C-N-CA 113.946 -3.101 . . . . 38.03 111.531 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.75 -38.74 86.21 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.171 -1.812 . . . . 28.46 112.069 175.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.82 -36.3 83.87 Favored 'General case' 1 N--CA 1.543 4.179 0 CA-C-O 115.119 -2.372 . . . . 33.73 108.467 -175.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.948 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.2 ttp -61.94 -43.0 99.74 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 114.54 -2.864 . . . . 83.57 115.704 169.258 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.5 mmm -56.1 -44.62 79.23 Favored 'General case' 0 C--O 1.219 -0.548 1 O-C-N 116.12 -4.112 . . . . 45.57 109.456 173.084 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.73 -40.28 62.91 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.947 1.405 . . . . 75.24 112.858 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.62 74.42 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 115.154 -2.355 . . . . 91.25 111.109 179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.62 152.31 12.13 Favored Glycine 0 N--CA 1.463 0.449 0 CA-C-N 121.804 2.093 . . . . 53.21 112.647 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.01 141.63 40.59 Favored 'Trans proline' 0 N--CA 1.419 -2.879 0 C-N-CA 123.324 2.682 . . . . 40.63 111.815 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -122.67 1.05 9.41 Favored 'General case' 1 C--O 1.139 -4.715 0 O-C-N 117.986 -2.946 . . . . 76.62 115.407 174.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.16 163.02 24.05 Favored 'General case' 0 C--O 1.284 2.872 0 O-C-N 120.022 -1.674 . . . . 36.06 111.447 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.65 -45.15 85.87 Favored 'General case' 0 N--CA 1.518 2.955 0 O-C-N 119.875 -1.765 . . . . 38.7 109.219 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.03 -32.18 73.64 Favored 'General case' 0 C--O 1.303 3.889 0 C-N-CA 127.304 2.242 . . . . 50.36 110.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.83 -38.71 67.05 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 125.06 2.362 . . . . 33.39 107.377 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.24 -41.16 81.6 Favored 'General case' 0 C--N 1.382 1.987 0 CA-C-N 113.199 -1.819 . . . . 39.1 109.507 -174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.49 -34.81 65.49 Favored 'General case' 0 N--CA 1.527 3.39 0 C-N-CA 114.937 -2.705 . . . . 32.16 106.421 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.7 t80 -61.57 -43.65 98.47 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.502 1.501 . . . . 31.86 109.662 174.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.05 -42.14 94.54 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 119.569 -0.852 . . . . 38.09 111.819 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.71 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.06 34.67 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 127.643 3.089 . . . . 28.68 113.221 -176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.42 1.42 12.35 Favored 'General case' 0 C--O 1.279 2.649 0 CA-C-O 112.525 -3.607 . . . . 42.11 112.07 -170.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.45 50.45 Favored Glycine 0 C--O 1.168 -3.98 0 CA-C-N 122.049 2.204 . . . . 31.31 108.648 -167.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.1 94.55 Favored 'General case' 0 C--O 1.256 1.445 0 C-N-CA 117.625 -1.63 . . . . 88.51 112.344 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.74 -43.97 90.39 Favored 'General case' 0 C--O 1.273 2.297 0 O-C-N 120.633 -1.292 . . . . 40.94 110.56 177.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.98 -37.25 81.28 Favored 'General case' 0 C--O 1.269 2.128 0 C-N-CA 116.78 -1.968 . . . . 25.06 110.973 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.93 -45.97 91.37 Favored 'General case' 0 CA--C 1.557 1.22 0 O-C-N 120.791 -1.193 . . . . 63.84 109.291 175.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -58.6 -41.47 85.9 Favored 'General case' 0 C--O 1.263 1.795 0 CA-C-O 117.598 -1.191 . . . . 46.34 113.296 173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.5 94.38 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 120.016 1.28 . . . . 30.52 108.067 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.36 -38.31 76.97 Favored 'General case' 0 C--N 1.375 1.712 0 CA-C-O 115.27 -2.3 . . . . 46.04 114.895 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.57 -42.03 99.3 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.867 2.576 . . . . 79.1 110.139 176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.29 -46.38 88.7 Favored 'General case' 0 C--O 1.264 1.825 0 C-N-CA 118.309 -1.356 . . . . 45.28 111.88 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.564 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.44 -45.72 80.65 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.566 -3.254 . . . . 37.28 111.077 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.88 -32.44 72.81 Favored 'General case' 0 C--O 1.27 2.149 0 O-C-N 119.959 -1.713 . . . . 45.73 109.252 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.89 -41.99 97.12 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-O 124.497 2.094 . . . . 72.23 113.7 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.18 -39.69 91.1 Favored 'General case' 0 CA--C 1.573 1.834 0 CA-C-N 113.473 -1.694 . . . . 34.96 113.795 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.564 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.64 -41.82 74.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 127.34 2.9 . . . . 46.8 108.043 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.37 -39.89 13.12 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.477 -0.934 . . . . 70.07 108.477 -173.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.3 -34.57 59.07 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.85 -3.656 . . . . 41.74 115.442 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.61 15.1 75.36 Favored Glycine 0 N--CA 1.492 2.42 2 O-C-N 114.132 -5.355 . . . . 28.2 111.157 -169.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.6 110.61 22.73 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 112.819 -3.467 . . . . 61.4 109.653 -176.47 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.36 -26.42 9.12 Favored 'Isoleucine or valine' 1 C--O 1.316 4.562 0 CA-C-N 124.165 3.166 . . . . 42.78 115.211 -179.014 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.19 -31.26 67.14 Favored 'General case' 0 N--CA 1.425 -1.697 0 O-C-N 116.445 -3.91 . . . . 73.61 113.534 171.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.19 -36.82 77.72 Favored 'General case' 0 C--O 1.264 1.846 0 C-N-CA 115.212 -2.595 . . . . 40.58 109.796 174.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.43 -27.88 61.68 Favored 'General case' 0 C--O 1.293 3.37 0 C-N-CA 118.375 -1.33 . . . . 43.18 111.685 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.81 96.48 Favored 'General case' 1 N--CA 1.544 4.266 1 C-N-CA 110.058 -4.657 . . . . 44.02 105.525 179.03 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.36 -33.6 71.37 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-O 129.008 4.242 . . . . 58.1 109.894 -171.472 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.85 84.29 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-N 108.436 -3.984 . . . . 24.53 111.021 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.13 -21.8 61.41 Favored 'General case' 0 C--N 1.415 3.437 0 CA-C-O 116.401 -1.761 . . . . 33.52 111.554 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.35 -40.41 81.52 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.213 1.824 . . . . 40.54 108.505 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.2 -37.14 66.56 Favored 'General case' 0 C--O 1.279 2.632 0 CA-C-O 114.269 -2.777 . . . . 30.94 108.858 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.15 -39.7 93.36 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 127.01 2.694 . . . . 25.15 111.22 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.06 -41.18 77.94 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 116.278 -1.82 . . . . 27.38 106.485 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.709 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.8 -46.65 87.09 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-O 116.712 -1.613 . . . . 51.51 107.943 179.159 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.3 t -54.37 -49.81 61.76 Favored 'Isoleucine or valine' 0 C--O 1.265 1.886 0 O-C-N 125.278 1.611 . . . . 24.78 113.054 173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.54 -43.15 89.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 120.229 -1.544 . . . . 29.26 113.432 -175.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.443 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.77 -42.21 95.27 Favored 'General case' 0 N--CA 1.405 -2.711 0 CA-C-O 111.788 -3.958 . . . . 39.22 109.323 176.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.709 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.88 -40.34 94.95 Favored 'General case' 0 N--CA 1.504 2.261 1 O-C-N 129.326 4.141 . . . . 86.15 109.947 -178.17 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.65 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 O-C-N 120.997 -1.065 . . . . 44.12 110.727 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 C--O 1.268 2.078 0 C-N-CA 124.458 1.103 . . . . 45.24 111.691 -172.196 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.884 0 N-CA-C 109.251 -1.54 . . . . 16.11 109.251 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.3 129.06 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.338 -1.727 . . . . 18.43 106.338 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.03 132.81 49.9 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.159 -1.793 . . . . 72.87 106.159 176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.6 t -113.81 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 121.933 2.151 . . . . 16.89 105.237 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.76 53.92 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 120.483 -1.386 . . . . 39.66 108.727 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.87 128.81 37.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 121.804 2.093 . . . . 18.55 115.892 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.5 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 108.309 -0.997 . . . . 15.34 108.309 169.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.07 135.37 11.92 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.861 -1.903 . . . . 42.67 105.861 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -69.46 145.13 57.92 Favored 'Trans proline' 0 N--CA 1.441 -1.564 0 C-N-CA 123.126 2.55 . . . . 20.98 114.644 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.2 37.22 Favored Glycine 0 N--CA 1.44 -1.081 0 N-CA-C 108.88 -1.688 . . . . 24.91 108.88 171.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.34 -9.37 59.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 114.921 1.452 . . . . 28.85 114.921 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.69 66.64 Favored Glycine 0 CA--C 1.525 0.696 0 O-C-N 121.652 -0.655 . . . . 19.67 114.379 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.19 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 119.449 1.624 . . . . 98.27 112.228 -174.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.13 103.68 15.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.334 1.054 . . . . 20.68 112.303 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.31 148.49 39.7 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.651 -2.119 . . . . 22.03 108.433 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -62.01 145.78 96.54 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.72 2.947 . . . . 27.68 111.303 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.92 153.19 21.73 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.881 -1.896 . . . . 88.66 105.881 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.48 132.75 45.27 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.167 -1.049 . . . . 99.06 108.167 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.67 -14.15 63.74 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-O 118.509 -1.162 . . . . 28.49 112.546 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.51 151.79 30.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 121.193 2.496 . . . . 35.54 109.82 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.0 m -83.88 120.47 26.11 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.345 1.653 . . . . 23.17 109.131 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.86 135.31 35.32 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.659 -1.238 . . . . 17.72 107.659 172.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.78 118.38 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 106.411 -1.7 . . . . 14.36 106.411 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.5 42.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 O-C-N 121.619 -0.675 . . . . 11.27 112.18 -170.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.03 144.21 37.32 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.262 -1.014 . . . . 20.93 108.262 158.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.5 p90 -143.52 155.55 44.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.521 0.677 . . . . 14.55 112.398 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.5 m -129.14 132.18 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.131 -2.544 . . . . 14.19 104.131 166.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.08 17.0 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.426 -1.07 . . . . 15.91 110.426 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.415 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.55 44.17 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.309 -1.367 . . . . 36.95 107.309 173.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.52 120.09 6.66 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 120.699 1.591 . . . . 72.56 109.503 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.53 23.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 124.528 2.109 . . . . 71.74 115.701 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.11 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 111.714 -2.494 . . . . 48.7 110.979 -175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.74 135.74 43.63 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 110.923 -2.638 . . . . 83.47 110.682 -168.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.49 40.05 Favored 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 108.327 -0.99 . . . . 73.09 108.327 160.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.86 -18.2 11.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 118.472 -0.775 . . . . 20.97 111.073 -177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -162.2 151.51 15.76 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 121.736 2.062 . . . . 22.26 113.355 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.4 128.71 7.55 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 106.579 -1.637 . . . . 23.31 106.579 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.14 -19.98 61.02 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 120.28 -0.568 . . . . 19.07 111.279 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.65 -41.35 96.18 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.696 -1.252 . . . . 50.14 110.994 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.44 61.83 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.223 1.963 . . . . 77.19 112.34 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.21 -7.79 59.63 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.33 -2.668 . . . . 68.77 112.619 -174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.04 13.5 3.79 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.864 0.866 . . . . 92.53 111.436 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.18 129.2 24.58 Favored Pre-proline 0 C--O 1.24 0.568 0 O-C-N 120.282 -1.511 . . . . 86.18 108.205 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -75.0 152.51 40.83 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.713 2.942 . . . . 32.99 107.772 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.98 140.65 29.65 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 112.095 -2.321 . . . . 21.39 106.352 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.448 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.2 141.31 51.77 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 106.516 -1.661 . . . . 31.31 106.516 178.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.62 158.83 44.4 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.03 -0.986 . . . . 24.29 108.543 172.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.68 124.02 44.51 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 122.434 1.111 . . . . 52.57 108.369 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 137.02 52.44 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 113.984 -1.462 . . . . 23.88 108.493 -175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.71 83.11 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-O 117.665 -1.63 . . . . 41.17 114.785 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.85 34.18 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 121.314 2.557 . . . . 79.21 115.115 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.68 34.49 12.95 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.832 2.16 . . . . 66.86 116.832 -171.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.21 -29.53 61.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.721 -1.237 . . . . 26.18 112.524 173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.5 167.53 18.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.772 0.796 . . . . 13.3 110.468 -174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.45 153.68 2.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.965 0.888 . . . . 11.35 112.688 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.59 74.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 115.397 1.628 . . . . 64.64 115.397 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.04 -31.51 76.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.801 -0.999 . . . . 12.57 113.831 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.73 -43.27 47.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.268 -0.873 . . . . 14.82 108.673 174.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.9 -45.76 82.41 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 119.513 1.051 . . . . 44.5 112.066 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -79.93 -34.01 39.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.86 -53.1 21.06 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.571 -0.612 . . . . 14.21 111.571 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.58 -33.14 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.452 0.538 . . . . 13.3 112.452 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.9 45.28 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 116.167 1.914 . . . . 11.35 116.167 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.35 13.33 33.57 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.402 -1.436 . . . . 18.89 111.717 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.41 146.97 27.3 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 107.435 -1.32 . . . . 14.13 107.435 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.46 163.23 12.37 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.653 -0.819 . . . . 15.47 112.421 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.89 130.64 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.477 0.581 . . . . 22.97 109.828 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.9 -14.78 61.36 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.515 1.134 . . . . 16.68 113.109 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.93 144.42 45.3 Favored 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 121.805 -0.82 . . . . 16.0 109.451 -174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.17 130.62 56.2 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.016 -1.846 . . . . 19.71 106.016 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.98 151.77 44.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.374 1.083 . . . . 11.91 113.566 -176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.89 35.07 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 104.295 -2.483 . . . . 40.73 104.295 171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.6 119.82 39.86 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 117.899 -1.048 . . . . 26.74 108.497 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.8 m -104.23 124.04 48.41 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.454 1.934 . . . . 13.86 107.36 172.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.66 125.15 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-O 123.543 1.639 . . . . 11.09 107.382 -167.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.63 158.38 86.37 Favored Pre-proline 0 CA--C 1.515 -0.385 0 CA-C-O 117.005 -1.474 . . . . 15.98 108.466 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.14 -36.44 99.16 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 124.994 3.796 . . . . 16.36 112.727 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.12 -15.09 63.44 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.283 1.216 . . . . 25.87 114.283 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.1 38.76 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.385 -0.822 . . . . 40.19 111.241 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.6 0.22 Allowed 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.489 -2.041 . . . . 14.63 105.489 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.48 2.68 26.47 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.012 -3.555 . . . . 14.49 114.847 -174.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.35 0.9 . . . . 13.72 115.35 165.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.37 -10.85 59.75 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 118.539 -1.265 . . . . 19.9 112.063 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -33.3 13.52 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 119.907 -1.746 . . . . 46.16 112.049 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.59 54.65 Favored Glycine 0 CA--C 1.533 1.21 0 N-CA-C 108.742 -1.743 . . . . 15.03 108.742 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 85.9 t60 -119.55 110.34 37.34 Favored Pre-proline 0 N--CA 1.439 -1.02 0 N-CA-C 103.8 -2.667 . . . . 16.17 103.8 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.3 Cg_endo -48.06 127.05 14.29 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 C-N-CA 124.72 3.613 . . . . 47.23 114.852 -170.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.59 28.62 Favored Glycine 0 N--CA 1.437 -1.276 0 CA-C-N 114.111 -1.404 . . . . 25.36 112.71 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.5 mt -125.82 -56.88 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.743 2.271 . . . . 20.7 109.006 -167.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.55 31.66 Favored Pre-proline 0 N--CA 1.467 0.39 0 O-C-N 119.209 -2.182 . . . . 20.63 105.498 -170.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.75 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.653 3.568 . . . . 23.63 112.317 176.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -53.23 142.63 55.57 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.865 3.044 . . . . 17.49 110.237 168.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 60.08 37.29 21.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 112.799 -2.001 . . . . 28.26 112.147 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.04 133.55 35.63 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 120.126 1.33 . . . . 16.1 112.641 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.05 133.05 35.26 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 107.859 -1.163 . . . . 15.74 107.859 167.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.93 139.98 48.76 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.74 -1.207 . . . . 14.61 107.74 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-O 122.109 0.957 . . . . 14.46 109.055 169.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 139.98 50.29 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.986 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.16 116.78 31.1 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 120.52 1.509 . . . . 15.13 107.672 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.23 31.43 Favored 'General case' 0 C--O 1.242 0.702 0 N-CA-C 108.181 -1.044 . . . . 35.49 108.181 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.25 102.79 14.26 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.068 1.413 . . . . 17.35 108.233 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.2 mt -74.5 -45.97 42.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.32 -1.764 . . . . 26.84 114.905 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.86 6.35 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.003 -1.481 . . . . 74.94 107.003 -163.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.14 140.44 49.07 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.037 -1.468 . . . . 28.26 107.037 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 108.181 -1.044 . . . . 62.18 108.181 171.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.88 0 CA-C-O 124.931 2.3 . . . . 73.77 115.659 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.47 113.41 20.72 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 102.487 -3.153 . . . . 35.3 102.487 -172.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.87 141.21 15.08 Favored 'Isoleucine or valine' 0 C--O 1.259 1.587 1 C-N-CA 109.945 -4.702 . . . . 39.45 109.902 173.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' 1012 ' ' LEU 0.27 24.8 mt -74.29 153.64 39.27 Favored 'General case' 0 C--O 1.256 1.418 0 C-N-CA 114.922 -2.711 . . . . 43.73 108.746 -172.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.48 -29.64 69.8 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.961 -1.971 . . . . 34.48 108.553 -176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.43 -47.24 69.81 Favored 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 130.62 3.568 . . . . 53.71 109.092 173.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.56 -40.64 66.5 Favored 'General case' 0 C--N 1.377 1.781 0 O-C-N 119.91 -1.744 . . . . 63.11 109.825 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.6 ttm -71.05 -40.28 71.77 Favored 'General case' 1 N--CA 1.569 5.485 0 C-N-CA 112.117 -3.833 . . . . 48.7 103.309 -167.009 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.69 -37.03 85.34 Favored 'General case' 0 C--N 1.372 1.576 0 N-CA-C 115.346 1.61 . . . . 29.05 115.346 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.8 -46.58 78.14 Favored 'General case' 0 C--O 1.281 2.715 0 N-CA-C 106.894 -1.521 . . . . 35.1 106.894 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.7 tt0 -66.62 -41.4 88.44 Favored 'General case' 0 C--O 1.277 2.511 0 N-CA-C 114.233 1.198 . . . . 61.75 114.233 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.26 95.26 Favored Glycine 0 C--O 1.18 -3.259 0 CA-C-O 116.552 -2.249 . . . . 29.17 112.589 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.94 -44.1 93.89 Favored 'General case' 0 C--O 1.286 3.0 0 O-C-N 125.163 1.155 . . . . 25.27 108.598 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.13 -47.7 80.48 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 128.711 2.804 . . . . 49.28 109.303 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.79 65.66 Favored 'General case' 0 C--O 1.188 -2.162 0 O-C-N 124.907 1.379 . . . . 58.72 110.409 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.42 82.86 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 117.049 -1.453 . . . . 26.56 107.685 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.91 -35.97 75.99 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 116.763 -1.975 . . . . 29.49 115.367 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.3 -43.96 96.36 Favored 'General case' 0 C--O 1.296 3.515 0 C-N-CA 116.862 -1.935 . . . . 86.67 114.667 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.41 -40.4 90.82 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 119.147 -2.221 . . . . 37.87 114.51 175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.3 -61.87 1.82 Allowed 'General case' 0 CA--C 1.594 2.662 0 CA-C-O 116.729 -1.605 . . . . 39.32 107.217 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -73.6 -37.96 65.27 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 115.848 1.795 . . . . 37.26 115.848 -174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.44 -53.0 3.98 Favored Glycine 0 N--CA 1.408 -3.233 0 C-N-CA 126.289 1.9 . . . . 50.14 109.124 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.79 -6.42 46.01 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 118.975 2.954 . . . . 83.84 118.975 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.43 Favored 'General case' 0 CA--C 1.559 1.306 0 CA-C-O 117.762 -1.114 . . . . 55.11 110.174 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.7 93.23 4.47 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 124.555 1.159 . . . . 34.24 111.953 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.77 -42.24 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 C-N-CA 125.965 1.706 . . . . 33.92 106.972 -175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.0 -42.2 68.78 Favored 'General case' 0 C--O 1.278 2.557 0 C-N-CA 116.014 -2.274 . . . . 74.08 112.175 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.96 -42.5 59.68 Favored Glycine 1 C--O 1.103 -8.035 0 N-CA-C 107.02 -2.432 . . . . 26.89 107.02 -173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.42 -40.65 71.76 Favored 'General case' 0 C--O 1.283 2.824 0 O-C-N 118.636 -2.685 . . . . 31.12 116.2 172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.2 -44.75 83.04 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 115.421 -2.228 . . . . 36.8 112.211 172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.2 -41.54 72.1 Favored 'General case' 0 N--CA 1.407 -2.595 1 O-C-N 129.709 4.38 . . . . 55.15 110.492 -178.064 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.6 t -66.54 -48.77 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-O 116.107 -1.902 . . . . 28.85 113.363 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.2 -27.19 56.77 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 120.861 1.664 . . . . 32.61 111.144 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.32 -40.38 59.23 Favored Pre-proline 0 N--CA 1.507 2.385 0 CA-C-N 121.325 1.875 . . . . 77.99 115.754 -173.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.02 -27.11 17.63 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 123.911 3.074 . . . . 37.5 110.604 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.19 -46.7 66.84 Favored 'General case' 0 C--O 1.289 3.182 0 C-N-CA 113.971 -3.092 . . . . 38.03 111.496 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.73 -38.75 86.15 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.065 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.3 83.92 Favored 'General case' 1 N--CA 1.542 4.171 0 CA-C-O 115.043 -2.408 . . . . 33.73 108.374 -175.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.949 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.4 ttp -61.97 -42.91 99.65 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 114.597 -2.841 . . . . 83.57 115.738 169.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.436 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.08 -44.68 79.2 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.999 -4.188 . . . . 45.57 109.453 173.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.71 -40.32 62.88 Favored 'General case' 0 C--O 1.256 1.428 0 O-C-N 124.838 1.336 . . . . 75.24 112.823 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.497 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.96 -32.59 74.38 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 115.056 -2.402 . . . . 91.25 111.093 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.32 12.17 Favored Glycine 0 N--CA 1.463 0.5 0 CA-C-N 121.828 2.104 . . . . 53.21 112.629 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -70.88 141.49 40.82 Favored 'Trans proline' 0 N--CA 1.418 -2.921 0 C-N-CA 123.362 2.708 . . . . 40.63 111.857 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.62 1.16 9.45 Favored 'General case' 1 C--O 1.141 -4.625 0 O-C-N 117.923 -2.986 . . . . 76.62 115.399 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.8 p -126.21 163.13 23.84 Favored 'General case' 0 C--O 1.286 2.983 0 O-C-N 120.055 -1.653 . . . . 36.06 111.492 170.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.71 -45.28 85.96 Favored 'General case' 0 N--CA 1.517 2.91 0 O-C-N 119.768 -1.833 . . . . 38.7 109.039 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.03 -32.11 73.54 Favored 'General case' 0 C--O 1.302 3.848 0 C-N-CA 127.252 2.221 . . . . 50.36 110.976 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.8 67.17 Favored 'General case' 0 C--N 1.283 -2.326 0 CA-C-O 124.963 2.316 . . . . 33.39 107.338 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.19 -41.17 81.79 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-N 113.162 -1.835 . . . . 39.1 109.465 -174.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.48 -34.84 65.53 Favored 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 114.952 -2.699 . . . . 32.16 106.46 -175.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.5 t80 -61.49 -43.74 98.32 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 120.442 1.474 . . . . 31.86 109.641 174.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.2 94.56 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 119.716 -0.793 . . . . 38.09 111.752 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.19 -44.33 71.5 Favored 'General case' 0 CA--C 1.6 2.866 0 N-CA-C 115.535 1.68 . . . . 28.08 115.535 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.11 -39.07 34.62 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 127.609 3.068 . . . . 28.68 113.188 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.36 1.28 12.37 Favored 'General case' 0 C--O 1.279 2.644 0 CA-C-O 112.518 -3.611 . . . . 42.11 112.064 -170.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.2 -50.6 50.12 Favored Glycine 1 C--O 1.167 -4.043 0 CA-C-N 122.033 2.197 . . . . 31.31 108.601 -167.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -45.11 94.36 Favored 'General case' 0 C--O 1.257 1.482 0 C-N-CA 117.635 -1.626 . . . . 88.51 112.315 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.2 m-20 -58.85 -43.82 90.85 Favored 'General case' 0 C--O 1.272 2.239 0 O-C-N 120.551 -1.343 . . . . 40.94 110.595 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.01 -37.2 81.16 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 116.668 -2.013 . . . . 25.06 111.07 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.8 mtp -61.9 -46.11 90.82 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.844 -1.16 . . . . 63.84 109.112 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.41 -41.72 85.6 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 117.545 -1.217 . . . . 46.34 113.215 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.8 -45.49 94.19 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 120.075 1.307 . . . . 30.52 108.112 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.23 -38.54 77.04 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.363 -2.256 . . . . 46.04 114.906 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.5 -42.02 99.21 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.852 2.569 . . . . 79.1 110.159 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.35 -46.4 88.73 Favored 'General case' 0 C--O 1.265 1.874 0 C-N-CA 118.354 -1.339 . . . . 45.28 111.795 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.0 m -56.49 -45.65 80.87 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 113.577 -3.249 . . . . 37.28 111.078 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -62.04 -32.27 72.76 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 116.688 -1.625 . . . . 45.73 109.295 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -61.0 -41.95 97.49 Favored 'General case' 0 C--O 1.259 1.56 0 CA-C-O 124.55 2.119 . . . . 72.23 113.638 175.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.25 -39.58 90.88 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 113.411 -1.722 . . . . 34.96 113.832 176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.7 -41.76 74.25 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 127.403 2.94 . . . . 46.8 108.109 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.35 -39.87 13.14 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.514 -0.921 . . . . 70.07 108.514 -173.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.36 -34.47 58.92 Favored 'General case' 0 C--N 1.291 -1.949 0 O-C-N 116.886 -3.634 . . . . 41.74 115.396 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.64 15.02 75.4 Favored Glycine 0 N--CA 1.493 2.444 2 O-C-N 114.125 -5.359 . . . . 28.2 111.091 -169.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.61 110.57 22.68 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 112.859 -3.448 . . . . 61.4 109.682 -176.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.33 -26.5 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.62 0 CA-C-N 124.21 3.186 . . . . 42.78 115.162 -178.928 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.1 -31.33 67.03 Favored 'General case' 0 N--CA 1.424 -1.751 0 O-C-N 116.301 -3.999 . . . . 73.61 113.505 171.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.26 -36.74 77.43 Favored 'General case' 0 C--O 1.265 1.883 0 C-N-CA 115.256 -2.578 . . . . 40.58 109.773 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.5 -27.78 61.56 Favored 'General case' 0 C--O 1.292 3.321 0 C-N-CA 118.3 -1.36 . . . . 43.18 111.689 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.1 p -64.44 -40.73 96.3 Favored 'General case' 1 N--CA 1.545 4.305 1 C-N-CA 109.965 -4.694 . . . . 44.02 105.595 178.967 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.304 11.5 mm100 -59.46 -33.54 71.41 Favored 'General case' 0 N--CA 1.521 3.095 1 CA-C-O 128.89 4.186 . . . . 58.1 109.865 -171.46 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.09 -36.93 84.49 Favored 'General case' 0 N--CA 1.539 3.985 0 CA-C-N 108.489 -3.959 . . . . 24.53 111.003 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.2 m95 -72.04 -21.92 61.47 Favored 'General case' 0 C--N 1.414 3.377 0 CA-C-O 116.501 -1.714 . . . . 33.52 111.585 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.29 81.63 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 121.141 1.792 . . . . 40.54 108.514 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.23 -37.17 66.48 Favored 'General case' 0 C--O 1.279 2.605 0 CA-C-O 114.309 -2.758 . . . . 30.94 108.865 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -65.14 -39.74 93.42 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 126.904 2.628 . . . . 25.15 111.175 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.09 -41.11 77.92 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 116.25 -1.833 . . . . 27.38 106.413 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.714 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.6 t60 -58.85 -46.64 87.25 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 116.609 -1.662 . . . . 51.51 107.9 179.176 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.31 -49.75 61.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 O-C-N 125.272 1.608 . . . . 24.78 113.181 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.66 -43.14 89.76 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 120.102 -1.624 . . . . 29.26 113.421 -175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.448 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.75 -42.21 95.34 Favored 'General case' 0 N--CA 1.406 -2.626 0 CA-C-O 111.754 -3.974 . . . . 39.22 109.384 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.714 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.8 -40.36 95.1 Favored 'General case' 0 N--CA 1.504 2.229 1 O-C-N 129.277 4.11 . . . . 86.15 110.002 -178.188 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.73 -28.63 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 120.896 -1.127 . . . . 44.12 110.687 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.269 2.114 0 O-C-N 120.859 -1.151 . . . . 45.24 111.741 -172.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.711 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.302 -1.519 . . . . 16.11 109.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.11 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 106.358 -1.719 . . . . 18.43 106.358 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.84 49.9 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 106.079 -1.822 . . . . 72.87 106.079 176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.2 t -113.82 116.27 52.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 121.915 2.143 . . . . 16.89 105.281 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.05 125.79 53.96 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.519 -1.363 . . . . 39.66 108.753 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.91 128.84 37.37 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 121.811 2.096 . . . . 18.55 115.896 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.29 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 108.307 -0.997 . . . . 15.34 108.307 169.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.38 11.88 Favored Pre-proline 0 C--O 1.239 0.53 0 N-CA-C 105.83 -1.915 . . . . 42.67 105.83 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 145.09 57.6 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.103 2.535 . . . . 20.98 114.687 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.84 -162.24 37.2 Favored Glycine 0 N--CA 1.44 -1.064 0 N-CA-C 108.918 -1.673 . . . . 24.91 108.918 171.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.37 -9.27 59.2 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.001 1.482 . . . . 28.85 115.001 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.56 15.68 66.56 Favored Glycine 0 CA--C 1.524 0.635 0 O-C-N 121.644 -0.66 . . . . 19.67 114.419 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.17 -42.55 0.72 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.411 1.606 . . . . 98.27 112.201 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.14 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.356 1.063 . . . . 20.68 112.304 -176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.34 148.45 39.63 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.686 -2.102 . . . . 22.03 108.405 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.96 145.8 96.64 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.729 2.953 . . . . 27.68 111.248 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.91 153.15 21.78 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.889 -1.893 . . . . 88.66 105.889 170.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.42 132.75 45.01 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.149 -1.056 . . . . 99.06 108.149 171.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.16 63.66 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-O 118.508 -1.162 . . . . 28.49 112.604 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 121.15 2.475 . . . . 35.54 109.773 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.81 120.43 26.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 125.324 1.64 . . . . 23.17 109.149 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.87 135.29 35.34 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 107.716 -1.216 . . . . 17.72 107.716 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.42 57.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 106.436 -1.69 . . . . 14.36 106.436 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.37 157.49 42.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.627 -0.671 . . . . 11.27 112.178 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.03 144.17 37.38 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 108.3 -1.0 . . . . 20.93 108.3 158.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.48 155.57 44.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.485 0.66 . . . . 14.55 112.434 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.6 m -129.14 132.22 47.31 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 104.122 -2.547 . . . . 14.19 104.122 166.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 16.99 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.431 -1.068 . . . . 15.91 110.431 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.4 157.32 43.76 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 121.947 0.88 . . . . 33.26 109.399 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.9 142.55 44.03 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.308 -1.368 . . . . 36.95 107.308 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.12 6.71 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 120.707 1.594 . . . . 72.56 109.505 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.33 45.43 23.6 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.45 2.072 . . . . 71.74 115.699 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.206 0 CA-C-N 111.756 -2.475 . . . . 48.7 110.951 -175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.65 135.7 43.79 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 110.873 -2.663 . . . . 83.47 110.748 -168.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.82 129.57 40.32 Favored 'General case' 0 N--CA 1.461 0.085 0 N-CA-C 108.329 -0.989 . . . . 73.09 108.329 160.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.86 -18.22 11.84 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 118.562 -0.732 . . . . 20.97 111.084 -177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.56 15.8 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 121.682 2.037 . . . . 22.26 113.369 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.73 7.54 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 106.615 -1.624 . . . . 23.31 106.615 174.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.7 p -73.16 -19.94 61.01 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 120.227 -0.589 . . . . 19.07 111.278 172.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.68 -41.42 96.08 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 120.642 -1.286 . . . . 50.14 110.948 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.78 -41.39 61.63 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 124.28 1.99 . . . . 77.19 112.362 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.28 -7.82 59.64 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 111.396 -2.638 . . . . 68.77 112.571 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.03 13.57 3.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.878 0.871 . . . . 92.53 111.417 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.23 129.27 24.54 Favored Pre-proline 0 C--O 1.24 0.592 0 O-C-N 120.323 -1.486 . . . . 86.18 108.14 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -75.14 152.55 40.26 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.686 2.924 . . . . 32.99 107.742 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -94.96 140.66 29.64 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 112.118 -2.31 . . . . 21.39 106.361 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.45 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.9 mttt -127.23 141.36 51.75 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 106.489 -1.671 . . . . 31.31 106.489 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.63 158.87 44.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 114.964 -1.016 . . . . 24.29 108.544 172.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.78 124.07 44.68 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 122.432 1.111 . . . . 52.57 108.376 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.99 52.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 113.975 -1.466 . . . . 23.88 108.492 -175.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.66 83.12 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-O 117.691 -1.616 . . . . 41.17 114.744 173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.12 9.84 34.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.364 2.582 . . . . 79.21 115.094 -178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.64 34.49 12.8 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 116.835 2.161 . . . . 66.86 116.835 -171.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.61 61.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 120.741 -1.225 . . . . 26.18 112.501 173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.41 167.53 18.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.751 0.786 . . . . 13.3 110.481 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.4 pt -57.54 153.7 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.05 0.929 . . . . 11.35 112.605 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.34 -38.59 74.35 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.374 1.62 . . . . 64.64 115.374 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.01 -31.54 76.92 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.865 -0.964 . . . . 12.57 113.88 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.06 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.314 -0.851 . . . . 14.82 108.719 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -45.77 82.48 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 119.579 1.081 . . . . 44.5 112.009 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.12 39.24 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.116 1.154 . . . . 52.63 114.116 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.16 20.89 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.548 -0.621 . . . . 14.21 111.548 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.56 -33.16 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 112.418 0.525 . . . . 13.3 112.418 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.89 45.16 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 116.138 1.903 . . . . 11.35 116.138 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.31 33.67 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 120.431 -1.418 . . . . 18.89 111.714 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.0 27.28 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.431 -1.322 . . . . 14.13 107.431 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.3 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 119.618 -0.833 . . . . 15.47 112.403 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.8 t -58.8 130.61 22.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 118.458 0.572 . . . . 22.97 109.826 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.89 -14.75 61.4 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 124.445 1.091 . . . . 16.68 113.088 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.86 144.36 45.48 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.75 -0.853 . . . . 16.0 109.486 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.15 130.71 56.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 105.973 -1.862 . . . . 19.71 105.973 168.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -141.02 151.75 44.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.376 1.084 . . . . 11.91 113.591 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.28 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.226 -2.509 . . . . 40.73 104.226 171.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 117.97 -1.014 . . . . 26.74 108.474 175.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.22 124.0 48.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 121.4 1.909 . . . . 13.86 107.392 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.16 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-O 123.499 1.619 . . . . 11.09 107.415 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.711 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.6 158.43 86.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 116.979 -1.486 . . . . 15.98 108.468 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -57.23 -36.43 99.04 Favored 'Trans proline' 0 CA--C 1.505 -0.929 0 C-N-CA 125.068 3.845 . . . . 16.36 112.635 -175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.11 -15.22 63.5 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.205 1.187 . . . . 25.87 114.205 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.1 38.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.379 -0.826 . . . . 40.19 111.192 174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.64 0.22 Allowed 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 105.523 -2.029 . . . . 14.63 105.523 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.41 2.59 26.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 117.022 -3.549 . . . . 14.49 114.863 -174.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.49 -146.87 50.66 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.356 0.902 . . . . 13.72 115.356 165.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.36 -10.77 59.75 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 118.476 -1.29 . . . . 19.9 112.064 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.98 -33.33 13.49 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.859 -1.776 . . . . 46.16 112.043 -178.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.96 -169.58 54.63 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 108.71 -1.756 . . . . 15.03 108.71 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.62 110.23 37.34 Favored Pre-proline 0 N--CA 1.438 -1.061 0 N-CA-C 103.836 -2.653 . . . . 16.17 103.836 178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.96 127.04 14.05 Favored 'Trans proline' 0 CA--C 1.515 -0.464 0 C-N-CA 124.663 3.575 . . . . 47.23 114.9 -170.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.4 Favored Glycine 0 N--CA 1.437 -1.271 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.737 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.76 -56.85 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 120.751 2.275 . . . . 20.7 109.093 -167.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.59 124.61 31.52 Favored Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 119.22 -2.175 . . . . 20.63 105.473 -170.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.87 162.96 40.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.601 3.534 . . . . 23.63 112.299 176.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -53.2 142.62 55.26 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.872 3.048 . . . . 17.49 110.242 168.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.16 37.17 20.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.797 -2.001 . . . . 28.26 112.122 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.58 35.59 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 120.159 1.345 . . . . 16.1 112.643 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.9 m -82.04 133.04 35.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.868 -1.16 . . . . 15.74 107.868 167.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.1 mt -113.97 139.97 48.8 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.699 -1.223 . . . . 14.61 107.699 -174.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.56 128.23 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.13 0.967 . . . . 14.46 109.073 169.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.71 140.01 50.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 114.887 -1.051 . . . . 14.6 110.969 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.85 31.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.627 -1.99 . . . . 15.34 105.627 166.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.1 t -127.13 130.82 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 120.422 1.465 . . . . 15.13 107.66 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.33 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.206 -1.035 . . . . 35.49 108.206 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.19 102.73 14.17 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 123.065 1.412 . . . . 17.35 108.304 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.7 mt -74.42 -46.0 42.85 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 113.367 -1.742 . . . . 26.84 114.919 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.62 153.9 6.39 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.016 -1.476 . . . . 74.94 107.016 -163.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.16 140.39 49.12 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 107.047 -1.464 . . . . 28.26 107.047 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.226 -1.027 . . . . 62.18 108.226 171.409 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.855 0 CA-C-O 124.875 2.274 . . . . 73.77 115.6 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.49 20.85 Favored 'General case' 0 C--N 1.282 -2.363 0 N-CA-C 102.451 -3.166 . . . . 35.3 102.451 -172.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.0 141.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.258 1.542 1 C-N-CA 109.946 -4.702 . . . . 39.45 109.923 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 24.9 mt -74.15 153.57 39.47 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.997 -2.681 . . . . 43.73 108.708 -172.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.52 -29.69 69.84 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 115.994 -1.955 . . . . 34.48 108.534 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.45 -47.16 69.95 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.559 3.544 . . . . 53.71 109.143 173.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.47 -40.76 66.73 Favored 'General case' 0 C--N 1.375 1.716 0 O-C-N 119.81 -1.806 . . . . 63.11 109.903 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.8 ttm -71.05 -40.29 71.74 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.104 -3.838 . . . . 48.7 103.31 -166.973 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.64 -37.15 85.73 Favored 'General case' 0 C--N 1.372 1.57 0 N-CA-C 115.401 1.63 . . . . 29.05 115.401 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.66 -46.66 78.31 Favored 'General case' 0 C--O 1.282 2.792 0 N-CA-C 106.926 -1.509 . . . . 35.1 106.926 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.5 -41.55 88.72 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 114.204 1.187 . . . . 61.75 114.204 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.53 -44.24 95.43 Favored Glycine 0 CA--C 1.566 3.27 0 CA-C-O 116.386 -2.341 . . . . 29.17 112.572 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.12 -43.96 93.7 Favored 'General case' 0 C--O 1.285 2.969 0 O-C-N 125.318 1.246 . . . . 25.27 108.559 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.36 -47.59 81.22 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 128.601 2.76 . . . . 49.28 109.285 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.12 -42.85 65.59 Favored 'General case' 0 C--O 1.187 -2.191 0 O-C-N 124.739 1.274 . . . . 58.72 110.367 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.37 83.37 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.147 -1.406 . . . . 26.56 107.803 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.91 -36.05 76.16 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 116.934 -1.907 . . . . 29.49 115.385 174.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.23 -44.09 96.24 Favored 'General case' 0 C--O 1.296 3.5 0 C-N-CA 116.913 -1.915 . . . . 86.67 114.619 174.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.29 -40.55 90.87 Favored 'General case' 0 N--CA 1.435 -1.215 0 O-C-N 119.161 -2.212 . . . . 37.87 114.501 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.16 -61.95 1.8 Allowed 'General case' 0 CA--C 1.595 2.703 0 CA-C-O 116.601 -1.666 . . . . 39.32 107.207 -173.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.62 -37.89 65.25 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 115.929 1.826 . . . . 37.26 115.929 -174.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.08 3.97 Favored Glycine 0 N--CA 1.409 -3.165 0 C-N-CA 126.236 1.875 . . . . 50.14 109.129 -179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.61 -6.57 46.2 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 119.069 2.988 . . . . 83.84 119.069 -174.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.05 32.76 20.6 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 117.639 -1.172 . . . . 55.11 110.167 -171.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.79 93.23 4.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.644 1.215 . . . . 34.24 111.932 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.1 t -72.78 -42.22 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.928 0 C-N-CA 126.017 1.727 . . . . 33.92 107.034 -175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.69 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.95 -42.24 68.66 Favored 'General case' 0 C--O 1.278 2.562 0 C-N-CA 116.057 -2.257 . . . . 74.08 112.181 177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.98 -42.56 59.42 Favored Glycine 1 C--O 1.103 -8.04 0 N-CA-C 106.97 -2.452 . . . . 26.89 106.97 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.7 71.44 Favored 'General case' 0 C--O 1.283 2.868 0 O-C-N 118.685 -2.656 . . . . 31.12 116.257 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.7 82.51 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 115.448 -2.215 . . . . 36.8 112.165 172.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.69 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.1 -41.64 71.86 Favored 'General case' 0 N--CA 1.407 -2.586 1 O-C-N 129.619 4.325 . . . . 55.15 110.584 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 73.6 t -66.45 -48.77 79.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-O 116.154 -1.879 . . . . 28.85 113.461 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.04 -27.4 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 120.92 1.691 . . . . 32.61 111.172 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.44 -40.14 55.89 Favored Pre-proline 0 N--CA 1.507 2.403 0 C-N-CA 117.06 -1.856 . . . . 77.99 115.809 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.5 Cg_endo -72.07 -27.09 17.52 Favored 'Trans proline' 0 N--CA 1.442 -1.533 0 C-N-CA 123.967 3.111 . . . . 37.5 110.693 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.8 mt -69.11 -46.76 66.89 Favored 'General case' 0 C--O 1.287 3.069 0 C-N-CA 113.931 -3.107 . . . . 38.03 111.521 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.73 -38.68 85.93 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 117.114 -1.834 . . . . 28.46 112.134 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.27 83.8 Favored 'General case' 1 N--CA 1.543 4.188 0 CA-C-O 115.1 -2.381 . . . . 33.73 108.458 -175.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.3 ttp -62.0 -42.97 99.73 Favored 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 114.547 -2.861 . . . . 83.57 115.705 169.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.437 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -56.07 -44.67 79.14 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.992 -4.192 . . . . 45.57 109.458 173.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.66 -40.29 62.69 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 124.887 1.367 . . . . 75.24 112.87 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.02 -32.62 74.43 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 115.195 -2.336 . . . . 91.25 111.078 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.28 12.13 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-N 121.83 2.105 . . . . 53.21 112.66 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.94 141.55 40.67 Favored 'Trans proline' 0 N--CA 1.418 -2.942 0 C-N-CA 123.386 2.724 . . . . 40.63 111.835 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.59 1.0 9.45 Favored 'General case' 1 C--O 1.141 -4.649 0 O-C-N 117.948 -2.97 . . . . 76.62 115.381 174.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.8 p -126.25 163.09 23.95 Favored 'General case' 0 C--O 1.285 2.961 0 O-C-N 120.106 -1.621 . . . . 36.06 111.434 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.72 -45.1 86.22 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 119.783 -1.823 . . . . 38.7 109.126 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.18 -32.12 73.58 Favored 'General case' 0 C--O 1.302 3.826 0 C-N-CA 127.222 2.209 . . . . 50.36 110.857 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.69 67.19 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 124.931 2.3 . . . . 33.39 107.357 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.37 -41.12 81.08 Favored 'General case' 0 C--N 1.381 1.94 0 CA-C-N 113.192 -1.822 . . . . 39.1 109.397 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.3 p -73.5 -34.91 65.51 Favored 'General case' 0 N--CA 1.526 3.373 0 C-N-CA 114.941 -2.704 . . . . 32.16 106.37 -175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.37 -43.77 98.31 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.508 1.504 . . . . 31.86 109.662 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.95 -42.25 94.8 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 119.561 -0.856 . . . . 38.09 111.848 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.22 -44.22 71.48 Favored 'General case' 0 CA--C 1.601 2.915 0 N-CA-C 115.545 1.683 . . . . 28.08 115.545 171.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.17 -38.99 34.55 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 127.617 3.073 . . . . 28.68 113.192 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.41 1.3 12.35 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 112.501 -3.618 . . . . 42.11 112.066 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.21 -50.58 50.19 Favored Glycine 0 C--O 1.169 -3.919 0 CA-C-N 121.964 2.165 . . . . 31.31 108.516 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -45.12 94.22 Favored 'General case' 0 C--O 1.257 1.461 0 C-N-CA 117.634 -1.626 . . . . 88.51 112.346 -177.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.81 -43.91 90.67 Favored 'General case' 0 C--O 1.272 2.254 0 O-C-N 120.537 -1.352 . . . . 40.94 110.566 177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.95 -37.3 81.42 Favored 'General case' 0 C--O 1.268 2.041 0 C-N-CA 116.669 -2.012 . . . . 25.06 111.058 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.88 -46.0 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.743 -1.223 . . . . 63.84 109.16 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.6 -41.55 86.11 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 117.525 -1.226 . . . . 46.34 113.239 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.43 94.59 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 119.992 1.269 . . . . 30.52 108.125 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.42 77.05 Favored 'General case' 0 C--N 1.377 1.769 0 CA-C-O 115.317 -2.278 . . . . 46.04 114.945 172.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.61 -41.98 99.31 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-N 122.801 2.546 . . . . 79.1 110.094 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.19 -46.44 88.43 Favored 'General case' 0 C--O 1.263 1.801 0 C-N-CA 118.355 -1.338 . . . . 45.28 111.875 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.562 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.4 m -56.55 -45.57 81.16 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 113.549 -3.26 . . . . 37.28 111.108 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.96 -32.44 72.88 Favored 'General case' 0 C--O 1.27 2.157 0 O-C-N 120.022 -1.674 . . . . 45.73 109.25 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.6 mttt -60.99 -41.82 97.21 Favored 'General case' 0 C--O 1.259 1.567 0 CA-C-O 124.422 2.058 . . . . 72.23 113.695 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.4 -39.58 91.23 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-N 113.471 -1.695 . . . . 34.96 113.749 176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.63 -41.78 74.03 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 127.462 2.976 . . . . 46.8 108.175 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.55 -0.908 . . . . 70.07 108.55 -173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.6 p -76.37 -34.55 58.91 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 116.911 -3.618 . . . . 41.74 115.455 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.17 75.42 Favored Glycine 0 N--CA 1.493 2.456 2 O-C-N 114.183 -5.323 . . . . 28.2 111.088 -169.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.59 110.51 22.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 112.848 -3.453 . . . . 61.4 109.65 -176.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.286 7.2 p -52.22 -26.54 8.83 Favored 'Isoleucine or valine' 1 C--O 1.316 4.599 0 CA-C-N 124.179 3.172 . . . . 42.78 115.29 -179.095 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.553 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.06 -31.3 66.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 O-C-N 116.407 -3.933 . . . . 73.61 113.575 171.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.27 -36.82 77.49 Favored 'General case' 0 C--O 1.266 1.93 0 C-N-CA 115.224 -2.59 . . . . 40.58 109.719 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.36 -27.89 61.73 Favored 'General case' 0 C--O 1.293 3.343 0 C-N-CA 118.346 -1.342 . . . . 43.18 111.768 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.553 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.45 -40.75 96.32 Favored 'General case' 1 N--CA 1.544 4.243 1 C-N-CA 110.036 -4.665 . . . . 44.02 105.578 179.034 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.53 71.28 Favored 'General case' 0 N--CA 1.523 3.203 1 CA-C-O 128.956 4.217 . . . . 58.1 109.915 -171.6 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.18 -36.96 84.45 Favored 'General case' 0 N--CA 1.537 3.885 0 CA-C-N 108.553 -3.93 . . . . 24.53 110.934 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.02 -21.84 61.49 Favored 'General case' 0 C--N 1.413 3.368 0 CA-C-O 116.456 -1.735 . . . . 33.52 111.585 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.32 -40.32 81.67 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 121.21 1.823 . . . . 40.54 108.589 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.21 -37.13 66.54 Favored 'General case' 0 C--O 1.279 2.607 0 CA-C-O 114.179 -2.819 . . . . 30.94 108.847 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.14 -39.75 93.47 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 127.02 2.7 . . . . 25.15 111.143 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.7 t80 -69.15 -41.16 77.66 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 116.207 -1.854 . . . . 27.38 106.35 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.251 56.9 t60 -58.78 -46.72 86.87 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-O 116.711 -1.614 . . . . 51.51 107.897 179.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.7 t -54.27 -49.68 61.68 Favored 'Isoleucine or valine' 0 C--O 1.265 1.884 0 O-C-N 125.289 1.618 . . . . 24.78 113.235 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.4 t80 -58.71 -43.15 90.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 120.212 -1.555 . . . . 29.26 113.466 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.45 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.67 -42.25 95.5 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-O 111.769 -3.967 . . . . 39.22 109.394 176.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.79 -40.45 95.25 Favored 'General case' 0 N--CA 1.504 2.251 1 O-C-N 129.328 4.143 . . . . 86.15 109.964 -178.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.73 -28.56 45.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 120.989 -1.069 . . . . 44.12 110.713 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.268 2.06 0 C-N-CA 124.564 1.146 . . . . 45.24 111.71 -172.276 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.849 0 N-CA-C 109.299 -1.52 . . . . 16.11 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.32 129.09 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 106.372 -1.714 . . . . 18.43 106.372 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.76 49.97 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 106.156 -1.794 . . . . 72.87 106.156 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.78 116.32 52.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 121.928 2.149 . . . . 16.89 105.276 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.78 53.93 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.479 -1.388 . . . . 39.66 108.762 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.8 m -70.89 128.85 37.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.798 2.09 . . . . 18.55 115.902 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.24 -43.49 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.3 -1.0 . . . . 15.34 108.3 169.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.05 135.39 11.94 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.47 145.06 57.66 Favored 'Trans proline' 0 N--CA 1.442 -1.532 0 C-N-CA 123.15 2.567 . . . . 20.98 114.662 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.9 -162.22 37.25 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 108.894 -1.682 . . . . 24.91 108.894 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.37 59.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.6 15.65 66.6 Favored Glycine 0 CA--C 1.525 0.673 0 O-C-N 121.65 -0.656 . . . . 19.67 114.411 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.16 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 119.42 1.61 . . . . 98.27 112.23 -174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.65 15.61 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.372 1.069 . . . . 20.68 112.312 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.35 148.48 39.69 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-O 115.632 -2.128 . . . . 22.03 108.42 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.85 96.59 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.726 2.95 . . . . 27.68 111.298 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.79 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 105.879 -1.897 . . . . 88.66 105.879 170.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.71 44.86 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.171 -1.048 . . . . 99.06 108.171 171.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.13 63.75 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-O 118.548 -1.14 . . . . 28.49 112.599 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.56 151.77 30.5 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 121.132 2.466 . . . . 35.54 109.736 175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.3 m -83.84 120.45 26.08 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 125.369 1.668 . . . . 23.17 109.136 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.8 135.27 35.28 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 107.74 -1.208 . . . . 17.72 107.74 172.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.74 118.47 57.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.395 -1.705 . . . . 14.36 106.395 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.35 157.43 42.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.615 -0.678 . . . . 11.27 112.233 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.98 144.26 37.19 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.27 -1.011 . . . . 20.93 108.27 158.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.59 155.53 44.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.511 0.672 . . . . 14.55 112.401 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.8 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 104.161 -2.533 . . . . 14.19 104.161 166.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.48 142.04 16.97 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.425 -1.07 . . . . 15.91 110.425 177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.44 157.33 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.936 0.874 . . . . 33.26 109.415 173.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.88 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.292 -1.373 . . . . 36.95 107.292 173.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.57 120.14 6.76 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.695 1.589 . . . . 72.56 109.44 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.23 45.49 23.32 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 124.506 2.098 . . . . 71.74 115.75 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.09 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 111.704 -2.498 . . . . 48.7 111.028 -175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -73.61 135.64 43.86 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.971 -2.615 . . . . 83.47 110.725 -168.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.75 129.5 40.08 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.36 -0.978 . . . . 73.09 108.36 160.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.83 -18.21 11.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 118.548 -0.739 . . . . 20.97 111.085 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.23 151.51 15.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 121.698 2.045 . . . . 22.26 113.342 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.41 128.76 7.57 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.531 -1.655 . . . . 23.31 106.531 174.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.22 -19.97 60.97 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 120.236 -0.586 . . . . 19.07 111.24 172.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.64 -41.34 96.21 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.714 -1.241 . . . . 50.14 110.992 -177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.86 -41.4 61.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.239 1.971 . . . . 77.19 112.333 174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.25 -7.76 59.63 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 111.359 -2.655 . . . . 68.77 112.616 -174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 59.97 13.54 3.76 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.854 0.862 . . . . 92.53 111.458 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.24 24.56 Favored Pre-proline 0 CA--C 1.54 0.592 0 O-C-N 120.27 -1.519 . . . . 86.18 108.153 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -75.06 152.53 40.6 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.671 2.914 . . . . 32.99 107.816 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -95.02 140.65 29.67 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 112.115 -2.311 . . . . 21.39 106.346 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.17 141.35 51.77 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 106.528 -1.656 . . . . 31.31 106.528 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.84 44.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 114.99 -1.005 . . . . 24.29 108.506 172.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.427 1.108 . . . . 52.57 108.406 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.97 52.25 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 114.058 -1.428 . . . . 23.88 108.487 -175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-O 117.672 -1.627 . . . . 41.17 114.727 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.14 9.93 33.87 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.393 2.597 . . . . 79.21 115.154 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 51.7 34.44 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.821 2.156 . . . . 66.86 116.821 -171.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.15 -29.62 61.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.758 -1.213 . . . . 26.18 112.518 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.45 167.49 18.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.766 0.794 . . . . 13.3 110.494 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.48 153.69 2.49 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-O 122.002 0.906 . . . . 11.35 112.657 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.36 -38.57 74.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.401 1.63 . . . . 64.64 115.401 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.03 -31.56 77.05 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-O 118.833 -0.982 . . . . 12.57 113.848 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.22 48.19 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 118.274 -0.87 . . . . 14.82 108.725 174.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.91 -45.76 82.45 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 119.548 1.067 . . . . 44.5 112.023 178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.91 -34.07 39.32 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 114.186 1.18 . . . . 52.63 114.186 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.88 -53.13 20.82 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.521 -0.631 . . . . 14.21 111.521 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.16 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 112.441 0.534 . . . . 13.3 112.441 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 116.178 1.918 . . . . 11.35 116.178 175.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.38 13.33 33.59 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 120.43 -1.419 . . . . 18.89 111.716 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.43 146.96 27.32 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 107.458 -1.312 . . . . 14.13 107.458 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.42 163.19 12.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 119.63 -0.828 . . . . 15.47 112.408 172.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.8 130.64 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 118.461 0.573 . . . . 22.97 109.867 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.81 -14.68 61.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 16.68 113.115 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.88 144.42 45.42 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 121.797 -0.826 . . . . 16.0 109.469 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.25 130.66 56.19 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 105.929 -1.878 . . . . 19.71 105.929 168.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.79 44.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.348 1.071 . . . . 11.91 113.612 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.31 121.92 35.19 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.228 -2.508 . . . . 40.73 104.228 171.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.66 119.81 39.87 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.938 -1.03 . . . . 26.74 108.512 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.21 123.97 48.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 121.406 1.912 . . . . 13.86 107.433 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.62 125.13 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 123.553 1.645 . . . . 11.09 107.379 -167.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.712 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.2 p -73.6 158.4 86.39 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 116.972 -1.49 . . . . 15.98 108.464 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.23 -36.36 99.03 Favored 'Trans proline' 0 CA--C 1.504 -0.976 0 C-N-CA 125.0 3.8 . . . . 16.36 112.686 -175.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.21 -15.08 63.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 114.204 1.187 . . . . 25.87 114.204 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.15 7.14 38.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.317 -0.864 . . . . 40.19 111.225 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.61 -117.64 0.22 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.484 -2.043 . . . . 14.63 105.484 -174.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.5 2.67 26.43 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 116.962 -3.586 . . . . 14.49 114.822 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.42 -146.82 50.62 Favored Glycine 0 C--N 1.338 0.664 0 N-CA-C 115.355 0.902 . . . . 13.72 115.355 165.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.79 59.75 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 118.569 -1.252 . . . . 19.9 112.002 -172.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.01 -33.36 13.46 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 119.863 -1.773 . . . . 46.16 111.977 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.9 -169.6 54.66 Favored Glycine 0 CA--C 1.534 1.247 0 N-CA-C 108.696 -1.762 . . . . 15.03 108.696 -177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.59 110.26 37.36 Favored Pre-proline 0 N--CA 1.439 -1.022 0 N-CA-C 103.788 -2.671 . . . . 16.17 103.788 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.93 127.02 13.93 Favored 'Trans proline' 0 CA--C 1.515 -0.448 0 C-N-CA 124.717 3.611 . . . . 47.23 114.876 -170.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.08 -20.64 28.2 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 114.076 -1.42 . . . . 25.36 112.755 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.0 mt -125.76 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 120.783 2.291 . . . . 20.7 109.056 -167.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.57 124.51 31.74 Favored Pre-proline 0 N--CA 1.467 0.382 0 O-C-N 119.23 -2.169 . . . . 20.63 105.506 -170.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.73 162.94 40.11 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.623 3.549 . . . . 23.63 112.311 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -53.29 142.67 56.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.881 3.054 . . . . 17.49 110.192 168.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.1 37.28 21.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 112.778 -2.01 . . . . 28.26 112.117 172.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.58 35.61 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 120.149 1.341 . . . . 16.1 112.637 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.5 m -82.06 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 107.875 -1.158 . . . . 15.74 107.875 167.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.88 139.95 48.76 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.735 -1.209 . . . . 14.61 107.735 -174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.58 128.21 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 122.117 0.96 . . . . 14.46 109.106 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.74 139.97 50.32 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.899 -1.046 . . . . 14.6 110.938 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.21 116.79 31.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 105.729 -1.952 . . . . 15.34 105.729 166.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.04 130.81 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 120.484 1.493 . . . . 15.13 107.71 -172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.87 118.19 31.34 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.23 102.79 14.25 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 123.106 1.431 . . . . 17.35 108.256 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.5 -46.0 42.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 113.281 -1.781 . . . . 26.84 114.852 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.94 6.43 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 106.988 -1.486 . . . . 74.94 106.988 -163.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.002 -1.481 . . . . 28.26 107.002 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 108.196 -1.039 . . . . 62.18 108.196 171.409 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.842 0 CA-C-O 124.86 2.267 . . . . 73.77 115.692 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.5 20.88 Favored 'General case' 0 C--N 1.281 -2.379 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.19 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 1 C-N-CA 110.057 -4.657 . . . . 39.45 109.963 173.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' 1012 ' ' LEU 0.264 25.2 mt -74.08 153.54 39.58 Favored 'General case' 0 C--O 1.256 1.411 0 C-N-CA 115.082 -2.647 . . . . 43.73 108.799 -172.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.53 -29.64 69.77 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 115.998 -1.953 . . . . 34.48 108.525 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.42 -47.21 69.82 Favored 'General case' 0 C--N 1.287 -2.126 0 C-N-CA 130.588 3.555 . . . . 53.71 109.114 173.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.62 -40.47 66.45 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 119.95 -1.719 . . . . 63.11 109.914 -175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.4 ttm -71.19 -40.24 71.33 Favored 'General case' 1 N--CA 1.569 5.477 0 C-N-CA 112.09 -3.844 . . . . 48.7 103.296 -167.006 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.68 -37.16 85.7 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 115.299 1.592 . . . . 29.05 115.299 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.65 -46.58 78.62 Favored 'General case' 0 C--O 1.282 2.812 0 N-CA-C 106.977 -1.49 . . . . 35.1 106.977 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.296 7.6 tt0 -66.57 -41.54 88.42 Favored 'General case' 0 C--O 1.279 2.64 0 N-CA-C 114.175 1.176 . . . . 61.75 114.175 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.2 95.28 Favored Glycine 0 C--O 1.18 -3.228 0 CA-C-O 116.452 -2.305 . . . . 29.17 112.505 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.03 -44.09 93.59 Favored 'General case' 0 C--O 1.285 2.953 0 O-C-N 125.209 1.182 . . . . 25.27 108.551 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -47.6 80.84 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 128.622 2.769 . . . . 49.28 109.368 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.22 -42.72 65.42 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 124.749 1.281 . . . . 58.72 110.409 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.37 83.06 Favored 'General case' 0 CA--C 1.569 1.688 0 CA-C-O 117.029 -1.462 . . . . 26.56 107.737 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.92 -36.04 76.15 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 116.887 -1.925 . . . . 29.49 115.296 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.33 -43.98 96.22 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.895 -1.922 . . . . 86.67 114.645 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.31 -40.58 91.06 Favored 'General case' 0 N--CA 1.435 -1.223 0 O-C-N 119.04 -2.287 . . . . 37.87 114.459 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.16 -61.8 1.85 Allowed 'General case' 0 CA--C 1.594 2.649 0 CA-C-O 116.727 -1.606 . . . . 39.32 107.268 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.7 -37.97 65.01 Favored 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 115.835 1.791 . . . . 37.26 115.835 -174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.27 -53.04 4.01 Favored Glycine 0 N--CA 1.41 -3.099 0 C-N-CA 126.139 1.828 . . . . 50.14 109.185 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -93.63 -6.59 46.11 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 119.015 2.969 . . . . 83.84 119.015 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.92 32.9 20.64 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 117.753 -1.118 . . . . 55.11 110.159 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.74 93.14 4.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.6 1.187 . . . . 34.24 111.891 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.8 t -72.73 -42.28 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.909 0 C-N-CA 126.059 1.744 . . . . 33.92 106.978 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.688 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.25 68.73 Favored 'General case' 0 C--O 1.278 2.563 0 C-N-CA 116.087 -2.245 . . . . 74.08 112.206 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.68 60.75 Favored Glycine 1 C--O 1.104 -8.014 0 N-CA-C 107.086 -2.406 . . . . 26.89 107.086 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.4 ttp -55.16 -40.69 70.91 Favored 'General case' 0 C--O 1.284 2.88 0 O-C-N 118.544 -2.739 . . . . 31.12 116.332 172.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.32 -44.77 82.45 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.387 -2.244 . . . . 36.8 112.132 172.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.688 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.18 -41.45 71.92 Favored 'General case' 0 N--CA 1.408 -2.563 1 O-C-N 129.784 4.428 . . . . 55.15 110.581 -178.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.3 t -66.55 -48.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 CA-C-O 116.185 -1.864 . . . . 28.85 113.372 176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.21 -27.2 56.74 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 120.831 1.651 . . . . 32.61 111.173 -172.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.7 tt0 -63.36 -40.29 58.06 Favored Pre-proline 0 N--CA 1.507 2.393 0 CA-C-N 121.254 1.843 . . . . 77.99 115.772 -173.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.2 Cg_endo -72.03 -27.18 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.421 0 C-N-CA 123.944 3.096 . . . . 37.5 110.64 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.4 mt -69.1 -46.77 66.91 Favored 'General case' 0 C--O 1.29 3.197 0 C-N-CA 113.949 -3.1 . . . . 38.03 111.492 176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.72 -38.7 85.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.034 175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.88 -36.22 83.67 Favored 'General case' 1 N--CA 1.543 4.218 0 CA-C-O 115.024 -2.417 . . . . 33.73 108.433 -175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.95 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.3 ttp -62.08 -42.87 99.65 Favored 'General case' 0 C--O 1.269 2.092 0 C-N-CA 114.5 -2.88 . . . . 83.57 115.764 169.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.433 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.4 mmm -56.06 -44.62 79.05 Favored 'General case' 0 C--O 1.218 -0.561 1 O-C-N 116.064 -4.147 . . . . 45.57 109.443 172.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.78 -40.18 62.96 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 124.939 1.4 . . . . 75.24 112.892 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.495 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.92 -32.73 74.58 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 115.17 -2.348 . . . . 91.25 111.131 179.584 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.55 152.3 12.17 Favored Glycine 0 N--CA 1.463 0.444 0 CA-C-N 121.751 2.068 . . . . 53.21 112.673 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -70.87 141.38 40.57 Favored 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 123.413 2.742 . . . . 40.63 111.904 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.48 1.08 9.52 Favored 'General case' 1 C--O 1.14 -4.703 0 O-C-N 117.931 -2.981 . . . . 76.62 115.501 174.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.26 163.02 24.12 Favored 'General case' 0 C--O 1.284 2.914 0 O-C-N 120.165 -1.584 . . . . 36.06 111.458 170.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.62 -45.19 85.69 Favored 'General case' 0 N--CA 1.517 2.897 0 O-C-N 119.809 -1.807 . . . . 38.7 109.163 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.04 -32.2 73.67 Favored 'General case' 0 C--O 1.303 3.876 0 C-N-CA 127.287 2.235 . . . . 50.36 110.941 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.69 67.2 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 125.025 2.345 . . . . 33.39 107.423 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.34 -41.11 81.24 Favored 'General case' 0 C--N 1.381 1.955 0 CA-C-N 113.238 -1.801 . . . . 39.1 109.398 -174.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.55 -34.83 65.37 Favored 'General case' 0 N--CA 1.528 3.444 0 C-N-CA 114.924 -2.71 . . . . 32.16 106.38 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.448 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 120.503 1.502 . . . . 31.86 109.631 174.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.97 -42.2 94.78 Favored 'General case' 0 C--O 1.257 1.479 0 C-N-CA 119.658 -0.817 . . . . 38.09 111.814 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.21 -44.31 71.54 Favored 'General case' 0 CA--C 1.6 2.902 0 N-CA-C 115.555 1.687 . . . . 28.08 115.555 171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.04 -39.2 34.56 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 127.652 3.095 . . . . 28.68 113.15 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -117.38 1.34 12.37 Favored 'General case' 0 C--O 1.279 2.618 0 CA-C-O 112.637 -3.554 . . . . 42.11 112.175 -170.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.18 -50.64 50.01 Favored Glycine 0 C--O 1.169 -3.958 0 CA-C-N 121.937 2.153 . . . . 31.31 108.53 -167.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -45.2 93.83 Favored 'General case' 0 C--O 1.257 1.469 0 C-N-CA 117.665 -1.614 . . . . 88.51 112.36 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.653 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.82 -43.73 90.71 Favored 'General case' 0 C--O 1.272 2.269 0 O-C-N 120.607 -1.308 . . . . 40.94 110.652 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.04 -37.31 81.21 Favored 'General case' 0 C--O 1.268 2.058 0 C-N-CA 116.854 -1.939 . . . . 25.06 111.02 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.98 -46.0 91.17 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.877 -1.14 . . . . 63.84 109.198 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.41 -41.69 85.49 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 117.553 -1.213 . . . . 46.34 113.268 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.45 94.51 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.982 1.264 . . . . 30.52 108.125 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.28 -38.53 77.18 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-O 115.396 -2.24 . . . . 46.04 114.934 172.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.5 -41.98 99.19 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 122.777 2.535 . . . . 79.1 110.118 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.26 -46.44 88.51 Favored 'General case' 0 C--O 1.264 1.818 0 C-N-CA 118.338 -1.345 . . . . 45.28 111.821 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.565 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.43 -45.7 80.62 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 113.606 -3.238 . . . . 37.28 111.098 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.99 -32.34 72.79 Favored 'General case' 0 C--O 1.269 2.125 0 O-C-N 120.068 -1.645 . . . . 45.73 109.29 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.94 -41.89 97.15 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 124.556 2.122 . . . . 72.23 113.804 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.31 -39.58 91.0 Favored 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 113.341 -1.754 . . . . 34.96 113.887 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.565 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.67 -41.79 74.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 127.467 2.979 . . . . 46.8 108.023 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.41 -39.83 13.13 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.489 -0.93 . . . . 70.07 108.489 -173.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.38 -34.48 58.89 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.836 -3.665 . . . . 41.74 115.415 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.13 75.23 Favored Glycine 0 N--CA 1.492 2.404 2 O-C-N 114.182 -5.324 . . . . 28.2 111.075 -169.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.63 110.6 22.72 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 112.893 -3.432 . . . . 61.4 109.643 -176.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.35 -26.48 9.2 Favored 'Isoleucine or valine' 1 C--O 1.316 4.582 0 CA-C-N 124.109 3.14 . . . . 42.78 115.204 -179.018 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.01 -31.34 66.86 Favored 'General case' 0 N--CA 1.424 -1.741 0 O-C-N 116.348 -3.97 . . . . 73.61 113.589 171.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.25 -36.73 77.45 Favored 'General case' 0 C--O 1.265 1.897 0 C-N-CA 115.193 -2.603 . . . . 40.58 109.81 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.49 -27.76 61.55 Favored 'General case' 0 C--O 1.292 3.31 0 C-N-CA 118.308 -1.357 . . . . 43.18 111.707 177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.6 p -64.53 -40.69 96.08 Favored 'General case' 1 N--CA 1.544 4.247 1 C-N-CA 110.032 -4.667 . . . . 44.02 105.478 179.026 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.4 mm100 -59.46 -33.52 71.4 Favored 'General case' 0 N--CA 1.521 3.125 1 CA-C-O 128.975 4.226 . . . . 58.1 109.907 -171.453 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.14 -36.88 84.3 Favored 'General case' 0 N--CA 1.538 3.95 1 CA-C-N 108.369 -4.014 . . . . 24.53 110.975 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.1 -21.79 61.44 Favored 'General case' 0 C--N 1.415 3.414 0 CA-C-O 116.495 -1.717 . . . . 33.52 111.531 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.34 -40.32 81.61 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 121.236 1.834 . . . . 40.54 108.544 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -37.07 66.29 Favored 'General case' 0 C--O 1.279 2.621 0 CA-C-O 114.26 -2.781 . . . . 30.94 108.792 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.22 -39.73 93.16 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.938 2.649 . . . . 25.15 111.102 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.05 -41.12 78.06 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 116.179 -1.867 . . . . 27.38 106.452 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.254 56.4 t60 -58.94 -46.54 87.77 Favored 'General case' 0 N--CA 1.512 2.667 0 CA-C-O 116.61 -1.662 . . . . 51.51 107.881 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.33 -49.73 61.88 Favored 'Isoleucine or valine' 0 C--O 1.265 1.905 0 O-C-N 125.318 1.636 . . . . 24.78 113.14 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.3 t80 -58.74 -43.04 90.13 Favored 'General case' 0 N--CA 1.44 -0.937 0 O-C-N 120.131 -1.606 . . . . 29.26 113.477 -175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.3 mtp85 -64.78 -42.25 95.22 Favored 'General case' 0 N--CA 1.407 -2.609 0 CA-C-O 111.759 -3.972 . . . . 39.22 109.305 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.75 -40.51 95.42 Favored 'General case' 0 N--CA 1.505 2.309 1 O-C-N 129.333 4.146 . . . . 86.15 109.909 -178.177 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.68 -28.69 45.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 120.93 -1.106 . . . . 44.12 110.663 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.27 2.177 0 C-N-CA 124.569 1.148 . . . . 45.24 111.746 -172.255 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.713 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.892 0 N-CA-C 109.264 -1.534 . . . . 16.11 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.27 129.14 59.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 106.339 -1.726 . . . . 18.43 106.339 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.05 132.8 49.93 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.106 -1.813 . . . . 72.87 106.106 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.81 116.3 52.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-N 121.958 2.163 . . . . 16.89 105.272 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.06 125.71 53.86 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 120.549 -1.344 . . . . 39.66 108.763 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.8 128.82 37.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 121.85 2.114 . . . . 18.55 115.927 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.31 -43.38 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 108.312 -0.995 . . . . 15.34 108.312 169.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.12 135.4 11.91 Favored Pre-proline 0 C--O 1.239 0.54 0 N-CA-C 105.821 -1.918 . . . . 42.67 105.821 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.48 145.08 57.67 Favored 'Trans proline' 0 N--CA 1.441 -1.574 0 C-N-CA 123.159 2.573 . . . . 20.98 114.617 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.24 37.23 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 108.955 -1.658 . . . . 24.91 108.955 170.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.33 -9.29 59.19 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.966 1.469 . . . . 28.85 114.966 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.63 66.54 Favored Glycine 0 CA--C 1.524 0.627 0 O-C-N 121.675 -0.641 . . . . 19.67 114.417 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.59 0.72 Allowed 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 119.417 1.608 . . . . 98.27 112.262 -174.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.06 103.6 15.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.376 1.07 . . . . 20.68 112.376 -176.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -113.29 148.46 39.61 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-O 115.682 -2.104 . . . . 22.03 108.448 -175.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.553 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.0 145.78 96.56 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.728 2.952 . . . . 27.68 111.292 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.86 153.12 21.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 105.928 -1.878 . . . . 88.66 105.928 170.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.79 45.24 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.115 -1.069 . . . . 99.06 108.115 171.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.14 63.7 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 118.496 -1.169 . . . . 28.49 112.561 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.52 151.76 30.55 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 121.171 2.486 . . . . 35.54 109.745 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.1 m -83.85 120.48 26.11 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 125.318 1.636 . . . . 23.17 109.119 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.84 135.28 35.31 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 107.74 -1.207 . . . . 17.72 107.74 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.42 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 106.409 -1.701 . . . . 14.36 106.409 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.37 157.52 42.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.702 -0.624 . . . . 11.27 112.124 -170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.09 144.24 37.38 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.249 -1.019 . . . . 20.93 108.249 158.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.52 155.54 44.35 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.487 0.66 . . . . 14.55 112.469 178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.3 m -129.12 132.23 47.34 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.155 -2.535 . . . . 14.19 104.155 166.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.451 -1.059 . . . . 15.91 110.451 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.43 157.35 43.75 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 121.94 0.876 . . . . 33.26 109.385 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.89 142.57 44.06 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.22 -1.371 . . . . 36.95 107.304 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.62 120.17 6.83 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.667 1.576 . . . . 72.56 109.515 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.27 45.45 23.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 124.479 2.085 . . . . 71.74 115.72 -172.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.59 6.79 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 111.757 -2.474 . . . . 48.7 111.002 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.64 135.69 43.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 110.953 -2.623 . . . . 83.47 110.705 -168.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.76 129.5 40.09 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 108.383 -0.969 . . . . 73.09 108.383 160.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.83 -18.2 11.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.47 15.69 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 121.763 2.074 . . . . 22.26 113.409 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.3 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.433 -1.291 0 N-CA-C 106.567 -1.642 . . . . 23.31 106.567 174.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.15 -19.9 61.02 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.214 -0.594 . . . . 19.07 111.266 172.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.36 96.1 Favored 'General case' 0 CA--C 1.518 -0.27 0 O-C-N 120.704 -1.248 . . . . 50.14 110.979 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.39 61.79 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 124.275 1.988 . . . . 77.19 112.364 174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.26 -7.81 59.64 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 111.386 -2.643 . . . . 68.77 112.545 -174.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.49 3.76 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.852 0.861 . . . . 92.53 111.49 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.15 129.25 24.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 120.271 -1.518 . . . . 86.18 108.139 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -75.05 152.54 40.64 Favored 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 123.713 2.942 . . . . 32.99 107.757 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.7 29.58 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 112.11 -2.314 . . . . 21.39 106.369 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.457 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.21 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.467 -1.679 . . . . 31.31 106.467 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.86 44.43 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.983 -1.008 . . . . 24.29 108.467 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.71 124.04 44.56 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 122.413 1.101 . . . . 52.57 108.361 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.45 136.98 52.26 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 114.037 -1.438 . . . . 23.88 108.461 -175.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.05 -5.76 82.98 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-O 117.676 -1.624 . . . . 41.17 114.694 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.466 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.87 34.05 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 121.382 2.591 . . . . 79.21 115.107 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.48 12.84 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 116.844 2.164 . . . . 66.86 116.844 -171.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.16 -29.58 61.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.708 -1.245 . . . . 26.18 112.474 173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.48 167.48 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.743 0.782 . . . . 13.3 110.494 -174.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.52 153.73 2.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 122.007 0.908 . . . . 11.35 112.671 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.38 -38.63 74.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.33 1.604 . . . . 64.64 115.33 -173.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.54 76.77 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-O 118.83 -0.983 . . . . 12.57 113.868 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.75 -43.19 47.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 118.259 -0.877 . . . . 14.82 108.735 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.66 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.551 1.069 . . . . 44.5 112.036 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.98 -34.03 38.97 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 114.161 1.171 . . . . 52.63 114.161 177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.93 -53.08 20.86 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.491 -0.644 . . . . 14.21 111.491 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.63 -33.13 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 112.387 0.514 . . . . 13.3 112.387 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.17 -24.9 44.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 116.21 1.93 . . . . 11.35 116.21 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.36 13.29 33.73 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 120.364 -1.46 . . . . 18.89 111.696 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.4 146.93 27.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.44 -1.318 . . . . 14.13 107.44 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.7 p -101.43 163.23 12.37 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 119.61 -0.836 . . . . 15.47 112.423 171.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.83 130.66 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 CA-C-N 118.469 0.577 . . . . 22.97 109.864 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.68 61.56 Favored Glycine 0 CA--C 1.528 0.866 0 O-C-N 124.456 1.098 . . . . 16.68 113.183 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -73.9 144.37 45.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 121.8 -0.823 . . . . 16.0 109.464 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.18 130.67 56.23 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 105.966 -1.864 . . . . 19.71 105.966 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.97 151.8 44.44 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.382 1.087 . . . . 11.91 113.609 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.29 121.96 35.2 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 104.204 -2.517 . . . . 40.73 104.204 171.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.84 39.95 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 117.999 -1.0 . . . . 26.74 108.506 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.7 m -104.19 123.93 48.2 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 121.401 1.909 . . . . 13.86 107.408 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.64 125.08 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-O 123.558 1.647 . . . . 11.09 107.438 -167.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.713 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.59 158.37 86.43 Favored Pre-proline 0 CA--C 1.515 -0.391 0 CA-C-O 117.015 -1.469 . . . . 15.98 108.468 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -57.13 -36.4 99.16 Favored 'Trans proline' 0 CA--C 1.504 -0.998 0 C-N-CA 124.984 3.79 . . . . 16.36 112.754 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.2 -15.13 63.46 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.227 1.195 . . . . 25.87 114.227 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.09 7.13 38.88 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.277 -0.89 . . . . 40.19 111.222 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.6 -117.61 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.511 -2.033 . . . . 14.63 105.511 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.42 2.62 26.56 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 116.99 -3.569 . . . . 14.49 114.844 -174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.44 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 115.332 0.893 . . . . 13.72 115.332 165.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.84 59.76 Favored 'General case' 0 C--O 1.216 -0.683 0 C-N-CA 118.506 -1.277 . . . . 19.9 112.1 -172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.02 -33.27 13.48 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 119.857 -1.777 . . . . 46.16 111.995 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.57 54.64 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 108.702 -1.759 . . . . 15.03 108.702 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.479 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.64 110.27 37.26 Favored Pre-proline 0 N--CA 1.438 -1.071 0 N-CA-C 103.784 -2.673 . . . . 16.17 103.784 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -47.97 127.02 14.03 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 124.679 3.586 . . . . 47.23 114.898 -170.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.43 Favored Glycine 0 N--CA 1.436 -1.316 0 CA-C-N 114.156 -1.384 . . . . 25.36 112.728 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.1 mt -125.78 -56.82 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 120.767 2.284 . . . . 20.7 109.075 -167.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.3 mm -112.58 124.58 31.58 Favored Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 119.204 -2.185 . . . . 20.63 105.51 -170.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.79 162.96 40.07 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.628 3.552 . . . . 23.63 112.321 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.67 55.79 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.889 3.059 . . . . 17.49 110.231 168.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.28 21.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 112.846 -1.979 . . . . 28.26 112.152 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.06 133.6 35.6 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 120.158 1.345 . . . . 16.1 112.668 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 99.1 m -82.04 133.02 35.26 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.915 -1.143 . . . . 15.74 107.915 167.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.93 139.99 48.75 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 107.704 -1.221 . . . . 14.61 107.704 -174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.22 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-O 122.116 0.96 . . . . 14.46 109.094 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.7 139.92 50.37 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.923 -1.035 . . . . 14.6 110.956 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.2 116.83 31.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 105.714 -1.958 . . . . 15.34 105.714 166.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.14 130.85 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 120.442 1.474 . . . . 15.13 107.662 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.18 31.33 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.175 -1.046 . . . . 35.49 108.175 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.26 102.85 14.32 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 123.138 1.447 . . . . 17.35 108.25 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.5 mt -74.52 -45.99 42.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 113.277 -1.783 . . . . 26.84 114.845 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.61 153.91 6.41 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.001 -1.481 . . . . 74.94 107.001 -163.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.41 49.1 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.008 -1.478 . . . . 28.26 107.008 172.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.235 -1.024 . . . . 62.18 108.235 171.38 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 1 N--CA 1.557 4.895 0 CA-C-O 124.837 2.256 . . . . 73.77 115.619 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.42 113.39 20.71 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 102.438 -3.171 . . . . 35.3 102.438 -172.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.9 141.28 15.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 1 C-N-CA 109.885 -4.726 . . . . 39.45 109.887 173.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.23 153.46 39.43 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 115.013 -2.675 . . . . 43.73 108.762 -172.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.36 -29.69 69.92 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 116.005 -1.95 . . . . 34.48 108.555 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.22 69.62 Favored 'General case' 0 C--N 1.288 -2.096 0 C-N-CA 130.586 3.554 . . . . 53.71 109.126 173.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -72.67 -40.59 66.17 Favored 'General case' 0 C--N 1.377 1.78 0 O-C-N 119.831 -1.793 . . . . 63.11 109.775 -175.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.407 50.6 ttm -71.03 -40.36 71.79 Favored 'General case' 1 N--CA 1.57 5.53 0 C-N-CA 112.177 -3.809 . . . . 48.7 103.268 -166.992 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.3 m95 -65.59 -37.1 85.68 Favored 'General case' 0 C--N 1.373 1.606 0 N-CA-C 115.407 1.632 . . . . 29.05 115.407 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.11 Favored 'General case' 0 C--O 1.28 2.693 0 N-CA-C 106.956 -1.498 . . . . 35.1 106.956 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.56 -41.42 88.62 Favored 'General case' 0 C--O 1.278 2.578 0 N-CA-C 114.276 1.213 . . . . 61.75 114.276 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.3 95.29 Favored Glycine 0 CA--C 1.566 3.237 0 CA-C-O 116.437 -2.313 . . . . 29.17 112.571 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.96 -44.06 93.91 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 125.298 1.234 . . . . 25.27 108.612 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -57.25 -47.54 81.13 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 128.555 2.742 . . . . 49.28 109.392 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -72.21 -42.8 65.34 Favored 'General case' 0 C--O 1.189 -2.117 0 O-C-N 124.812 1.32 . . . . 58.72 110.31 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.67 -45.31 83.35 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.788 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.95 -36.02 76.19 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 116.884 -1.926 . . . . 29.49 115.375 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.39 -43.91 96.21 Favored 'General case' 0 C--O 1.297 3.6 0 C-N-CA 116.835 -1.946 . . . . 86.67 114.574 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.35 -40.47 90.83 Favored 'General case' 0 N--CA 1.436 -1.167 0 O-C-N 119.098 -2.252 . . . . 37.87 114.544 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.23 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.73 0 CA-C-O 116.669 -1.634 . . . . 39.32 107.202 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.64 -37.97 65.16 Favored 'General case' 0 N--CA 1.51 2.528 0 N-CA-C 115.855 1.798 . . . . 37.26 115.855 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.4 -53.0 3.99 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.273 1.892 . . . . 50.14 109.117 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.76 -6.49 45.93 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 119.027 2.973 . . . . 83.84 119.027 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.06 32.72 20.55 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 117.705 -1.141 . . . . 55.11 110.166 -171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.68 93.15 4.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 124.53 1.144 . . . . 34.24 111.915 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 95.2 t -72.77 -42.21 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 126.003 1.721 . . . . 33.92 107.027 -175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.94 -42.25 68.62 Favored 'General case' 0 C--O 1.279 2.607 0 C-N-CA 116.041 -2.264 . . . . 74.08 112.186 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.61 60.03 Favored Glycine 1 C--O 1.103 -8.064 0 N-CA-C 107.08 -2.408 . . . . 26.89 107.08 -173.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.36 -40.53 71.4 Favored 'General case' 0 C--O 1.283 2.845 0 O-C-N 118.631 -2.688 . . . . 31.12 116.338 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.31 -44.77 82.5 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 115.467 -2.206 . . . . 36.8 112.207 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.686 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.9 mt-10 -55.1 -41.53 71.74 Favored 'General case' 0 N--CA 1.407 -2.604 1 O-C-N 129.57 4.294 . . . . 55.15 110.559 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.5 t -66.54 -48.72 79.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-O 116.286 -1.816 . . . . 28.85 113.385 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.2 mt -76.08 -27.29 57.13 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 120.841 1.655 . . . . 32.61 111.273 -172.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.8 tt0 -63.39 -40.29 57.83 Favored Pre-proline 0 N--CA 1.507 2.399 0 C-N-CA 117.071 -1.852 . . . . 77.99 115.831 -173.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.96 -27.19 17.76 Favored 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.979 3.12 . . . . 37.5 110.653 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.71 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.2 mt -69.14 -46.69 67.01 Favored 'General case' 0 C--O 1.289 3.175 0 C-N-CA 113.917 -3.113 . . . . 38.03 111.578 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.72 -38.62 85.69 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 117.276 -1.77 . . . . 28.46 112.063 175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.95 -36.36 84.12 Favored 'General case' 1 N--CA 1.542 4.134 0 CA-C-O 115.106 -2.378 . . . . 33.73 108.411 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.951 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.4 ttp -61.98 -43.03 99.7 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 114.515 -2.874 . . . . 83.57 115.658 169.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . 0.434 ' H ' ' HG2' ' B' 1048 ' ' MET . 39.3 mmm -55.93 -44.64 78.56 Favored 'General case' 0 C--O 1.218 -0.563 1 O-C-N 115.996 -4.19 . . . . 45.57 109.489 173.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.8 -40.14 62.97 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 124.888 1.367 . . . . 75.24 112.946 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.496 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.11 -32.51 74.25 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 115.107 -2.378 . . . . 91.25 111.08 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.56 152.28 12.16 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-N 121.847 2.112 . . . . 53.21 112.657 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -70.87 141.56 41.01 Favored 'Trans proline' 0 N--CA 1.419 -2.882 0 C-N-CA 123.437 2.758 . . . . 40.63 111.82 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -122.67 0.95 9.4 Favored 'General case' 1 C--O 1.139 -4.752 0 O-C-N 118.029 -2.92 . . . . 76.62 115.419 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.6 p -126.17 163.18 23.71 Favored 'General case' 0 C--O 1.285 2.946 0 O-C-N 120.15 -1.594 . . . . 36.06 111.47 170.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.74 -45.18 86.21 Favored 'General case' 0 N--CA 1.516 2.872 0 O-C-N 119.757 -1.839 . . . . 38.7 109.174 175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -63.99 -32.11 73.54 Favored 'General case' 0 C--O 1.303 3.877 0 C-N-CA 127.218 2.207 . . . . 50.36 111.055 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.78 -38.79 67.18 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-O 125.068 2.366 . . . . 33.39 107.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.6 m -68.21 -41.24 81.63 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 113.185 -1.825 . . . . 39.1 109.424 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.5 -34.78 65.45 Favored 'General case' 0 N--CA 1.527 3.394 0 C-N-CA 114.953 -2.699 . . . . 32.16 106.418 -175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.4 t80 -61.55 -43.66 98.45 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 120.469 1.486 . . . . 31.86 109.628 174.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.06 -42.21 94.43 Favored 'General case' 0 C--O 1.258 1.515 0 C-N-CA 119.602 -0.839 . . . . 38.09 111.769 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -54.17 -44.23 71.31 Favored 'General case' 0 CA--C 1.601 2.905 0 N-CA-C 115.556 1.688 . . . . 28.08 115.556 171.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.23 -39.09 34.05 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 127.666 3.104 . . . . 28.68 113.083 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -117.35 1.24 12.37 Favored 'General case' 0 C--O 1.279 2.652 0 CA-C-O 112.559 -3.591 . . . . 42.11 112.165 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.16 -50.59 50.41 Favored Glycine 0 C--O 1.169 -3.959 0 CA-C-N 121.956 2.162 . . . . 31.31 108.579 -167.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -45.19 93.93 Favored 'General case' 0 C--O 1.256 1.423 0 C-N-CA 117.676 -1.61 . . . . 88.51 112.291 -177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.655 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.1 m-20 -58.85 -43.79 90.84 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 120.536 -1.352 . . . . 40.94 110.59 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.1 -37.21 80.92 Favored 'General case' 0 C--O 1.266 1.966 0 C-N-CA 116.583 -2.047 . . . . 25.06 111.03 -176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.84 -46.01 91.33 Favored 'General case' 0 CA--C 1.557 1.213 0 O-C-N 120.87 -1.144 . . . . 63.84 109.249 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.48 -41.62 85.71 Favored 'General case' 0 C--O 1.264 1.856 0 CA-C-O 117.515 -1.231 . . . . 46.34 113.312 172.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.37 94.96 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 120.026 1.285 . . . . 30.52 108.137 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.24 -38.63 77.24 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 115.342 -2.266 . . . . 46.04 114.867 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.45 -42.03 99.17 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 122.844 2.566 . . . . 79.1 110.185 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.24 -46.31 88.83 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 118.272 -1.371 . . . . 45.28 111.949 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.59 -45.59 81.29 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 113.621 -3.232 . . . . 37.28 111.059 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.06 -32.31 72.82 Favored 'General case' 0 C--O 1.27 2.173 0 O-C-N 120.006 -1.684 . . . . 45.73 109.28 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.94 -41.99 97.32 Favored 'General case' 0 C--O 1.259 1.578 0 CA-C-O 124.497 2.094 . . . . 72.23 113.711 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.21 -39.57 90.73 Favored 'General case' 0 CA--C 1.575 1.911 0 CA-C-N 113.443 -1.708 . . . . 34.96 113.824 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.1 mtt -55.63 -41.87 74.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 127.559 3.037 . . . . 46.8 108.048 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.41 -39.79 13.16 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.516 -0.92 . . . . 70.07 108.516 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.5 p -76.32 -34.54 59.01 Favored 'General case' 0 C--N 1.29 -2.021 0 O-C-N 116.895 -3.628 . . . . 41.74 115.436 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.63 14.99 75.37 Favored Glycine 0 N--CA 1.493 2.491 2 O-C-N 114.089 -5.382 . . . . 28.2 111.118 -169.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.57 110.55 22.65 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.92 -3.419 . . . . 61.4 109.693 -176.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.32 -26.51 9.14 Favored 'Isoleucine or valine' 1 C--O 1.316 4.605 0 CA-C-N 124.222 3.192 . . . . 42.78 115.143 -178.977 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.13 -31.2 66.95 Favored 'General case' 0 N--CA 1.426 -1.669 0 O-C-N 116.39 -3.944 . . . . 73.61 113.57 171.421 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -69.21 -36.87 77.71 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 115.226 -2.59 . . . . 40.58 109.773 174.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.41 -27.9 61.7 Favored 'General case' 0 C--O 1.292 3.33 0 C-N-CA 118.291 -1.364 . . . . 43.18 111.708 177.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.41 -40.72 96.31 Favored 'General case' 1 N--CA 1.543 4.22 1 C-N-CA 110.01 -4.676 . . . . 44.02 105.577 179.033 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.4 mm100 -59.37 -33.59 71.37 Favored 'General case' 0 N--CA 1.523 3.194 1 CA-C-O 128.847 4.165 . . . . 58.1 109.852 -171.531 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.93 84.53 Favored 'General case' 0 N--CA 1.536 3.873 0 CA-C-N 108.486 -3.961 . . . . 24.53 111.056 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.5 m95 -72.04 -21.84 61.47 Favored 'General case' 0 C--N 1.413 3.356 0 CA-C-O 116.531 -1.7 . . . . 33.52 111.637 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.36 -40.36 81.49 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 121.167 1.803 . . . . 40.54 108.524 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.16 66.49 Favored 'General case' 0 C--O 1.279 2.638 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.812 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.6 93.19 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 127.015 2.697 . . . . 25.15 111.197 177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.21 -41.14 77.48 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 116.155 -1.879 . . . . 27.38 106.335 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 56.3 t60 -58.81 -46.66 87.09 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 125.305 1.628 . . . . 51.51 107.909 179.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.9 t -54.28 -49.68 61.8 Favored 'Isoleucine or valine' 0 C--O 1.265 1.893 0 O-C-N 125.289 1.618 . . . . 24.78 113.214 173.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -58.84 -43.08 90.64 Favored 'General case' 0 N--CA 1.442 -0.836 0 O-C-N 120.152 -1.592 . . . . 29.26 113.393 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.6 mtp85 -64.69 -42.18 95.5 Favored 'General case' 0 N--CA 1.406 -2.67 0 CA-C-O 111.77 -3.967 . . . . 39.22 109.385 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.91 -40.33 94.9 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.39 4.181 . . . . 86.15 109.943 -178.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.68 -28.73 45.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 O-C-N 120.948 -1.095 . . . . 44.12 110.668 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.268 2.031 0 O-C-N 120.834 -1.166 . . . . 45.24 111.641 -172.197 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.708 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.868 0 N-CA-C 109.309 -1.516 . . . . 16.11 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 106.375 -1.713 . . . . 18.43 106.375 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.04 132.79 49.94 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.84 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 121.92 2.146 . . . . 16.89 105.285 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.1 125.77 53.88 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.52 -1.362 . . . . 39.66 108.738 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.89 128.81 37.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 121.755 2.071 . . . . 18.55 115.925 -174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.9 mt -91.2 -43.48 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.313 -0.995 . . . . 15.34 108.313 169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.35 11.9 Favored Pre-proline 0 C--O 1.239 0.521 0 N-CA-C 105.871 -1.9 . . . . 42.67 105.871 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.47 145.1 57.75 Favored 'Trans proline' 0 N--CA 1.442 -1.529 0 C-N-CA 123.106 2.538 . . . . 20.98 114.649 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.2 37.19 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.903 -1.679 . . . . 24.91 108.903 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -78.36 -9.29 59.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.963 1.468 . . . . 28.85 114.963 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.57 15.66 66.56 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 121.58 -0.7 . . . . 19.67 114.407 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.15 -42.63 0.72 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 119.459 1.629 . . . . 98.27 112.251 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -97.98 103.55 15.5 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.412 1.085 . . . . 20.68 112.41 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.25 148.53 39.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 115.6 -2.143 . . . . 22.03 108.453 -175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.557 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.99 145.8 96.58 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.736 2.957 . . . . 27.68 111.3 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.97 153.17 21.78 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 105.868 -1.901 . . . . 88.66 105.868 170.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.75 44.92 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.16 -1.052 . . . . 99.06 108.16 171.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.19 63.57 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-O 118.49 -1.172 . . . . 28.49 112.573 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.46 151.75 30.65 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 121.204 2.502 . . . . 35.54 109.772 175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.7 m -83.83 120.42 26.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 125.323 1.639 . . . . 23.17 109.156 170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.83 135.31 35.28 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 107.688 -1.227 . . . . 17.72 107.688 172.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.75 118.41 57.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 106.44 -1.689 . . . . 14.36 106.44 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.32 157.49 42.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 O-C-N 121.685 -0.634 . . . . 11.27 112.176 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.07 144.19 37.42 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.241 -1.022 . . . . 20.93 108.241 158.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.7 p90 -143.51 155.57 44.37 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.531 0.682 . . . . 14.55 112.422 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.7 m -129.13 132.25 47.33 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 104.091 -2.559 . . . . 14.19 104.091 166.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.51 142.11 17.01 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.407 -1.077 . . . . 15.91 110.407 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.36 43.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.911 0.862 . . . . 33.26 109.435 173.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.95 142.54 43.93 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.287 -1.375 . . . . 36.95 107.287 173.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.51 120.14 6.73 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-N 120.716 1.598 . . . . 72.56 109.486 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 49.26 45.45 23.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 124.503 2.097 . . . . 71.74 115.74 -172.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.07 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 111.752 -2.476 . . . . 48.7 110.995 -175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -73.6 135.73 43.89 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 110.935 -2.632 . . . . 83.47 110.721 -168.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.86 129.53 40.18 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 108.345 -0.983 . . . . 73.09 108.345 160.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.8 -18.23 11.87 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.53 -0.748 . . . . 20.97 111.136 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.16 151.52 15.85 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.681 2.037 . . . . 22.26 113.365 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.7 7.55 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.57 -1.641 . . . . 23.31 106.57 174.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.3 p -73.22 -19.87 60.99 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.188 -0.605 . . . . 19.07 111.306 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.35 96.02 Favored 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 120.704 -1.248 . . . . 50.14 110.967 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.79 -41.43 61.67 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 124.233 1.968 . . . . 77.19 112.373 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.23 -7.78 59.63 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.393 -2.639 . . . . 68.77 112.581 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.55 3.78 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.933 0.893 . . . . 92.53 111.443 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.21 129.29 24.54 Favored Pre-proline 0 C--O 1.24 0.574 0 O-C-N 120.301 -1.499 . . . . 86.18 108.165 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -75.21 152.57 39.94 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.682 2.921 . . . . 32.99 107.731 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.03 140.67 29.65 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 112.116 -2.311 . . . . 21.39 106.336 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.452 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.9 mttt -127.18 141.37 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.537 -1.653 . . . . 31.31 106.537 178.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.66 158.85 44.42 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 114.972 -1.013 . . . . 24.29 108.486 172.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 124.0 44.48 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 122.378 1.085 . . . . 52.57 108.431 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.39 136.98 52.41 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.044 -1.434 . . . . 23.88 108.492 -175.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.96 -5.64 83.15 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 117.649 -1.64 . . . . 41.17 114.748 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.18 9.91 34.02 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.324 2.562 . . . . 79.21 115.13 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.54 12.94 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.797 2.147 . . . . 66.86 116.797 -171.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.25 -29.56 61.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.744 -1.222 . . . . 26.18 112.457 173.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.59 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-O 121.727 0.775 . . . . 13.3 110.514 -174.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.54 153.71 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 122.038 0.923 . . . . 11.35 112.603 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.33 -38.61 74.35 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 115.361 1.615 . . . . 64.64 115.361 -173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.56 77.04 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 118.89 -0.95 . . . . 12.57 113.884 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.68 -43.25 48.4 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.287 -0.863 . . . . 14.82 108.728 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.69 82.67 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 119.544 1.066 . . . . 44.5 112.019 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.99 -34.06 38.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.126 1.158 . . . . 52.63 114.126 177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.84 -53.15 20.9 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.552 -0.619 . . . . 14.21 111.552 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.52 -33.2 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 112.47 0.544 . . . . 13.3 112.47 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.83 44.3 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 116.176 1.917 . . . . 11.35 116.176 175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.42 13.29 33.8 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 120.372 -1.455 . . . . 18.89 111.664 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.44 147.04 27.22 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.393 -1.336 . . . . 14.13 107.393 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.2 p -101.48 163.2 12.39 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 119.606 -0.838 . . . . 15.47 112.381 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.79 130.69 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 CA-C-N 118.463 0.574 . . . . 22.97 109.841 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.74 -14.69 61.61 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.513 1.133 . . . . 16.68 113.149 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.95 144.39 45.29 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 121.784 -0.833 . . . . 16.0 109.499 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.13 130.64 56.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.77 44.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 122.355 1.074 . . . . 11.91 113.592 -176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.24 121.92 35.09 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.235 -2.505 . . . . 40.73 104.235 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.86 39.97 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 117.901 -1.047 . . . . 26.74 108.48 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.5 m -104.26 123.96 48.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 121.456 1.935 . . . . 13.86 107.38 172.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.64 125.15 70.92 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-O 123.56 1.648 . . . . 11.09 107.419 -167.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.708 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.65 158.43 86.27 Favored Pre-proline 0 CA--C 1.514 -0.414 0 CA-C-O 117.062 -1.447 . . . . 15.98 108.418 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.21 -36.38 99.05 Favored 'Trans proline' 0 CA--C 1.504 -1.012 0 C-N-CA 125.021 3.814 . . . . 16.36 112.678 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.15 -15.15 63.47 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.238 1.199 . . . . 25.87 114.238 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.12 7.11 38.81 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.346 -0.846 . . . . 40.19 111.206 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.63 0.22 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.521 -2.029 . . . . 14.63 105.521 -174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.44 2.69 26.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 117.001 -3.562 . . . . 14.49 114.839 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.37 -146.81 50.61 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.377 0.911 . . . . 13.72 115.377 165.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.31 -10.88 59.76 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 118.549 -1.261 . . . . 19.9 112.055 -172.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.38 13.51 Favored 'General case' 0 C--N 1.315 -0.932 0 O-C-N 119.87 -1.769 . . . . 46.16 112.023 -178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 108.718 -1.753 . . . . 15.03 108.718 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.6 110.29 37.31 Favored Pre-proline 0 N--CA 1.438 -1.043 0 N-CA-C 103.834 -2.654 . . . . 16.17 103.834 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.4 Cg_endo -47.99 127.02 14.07 Favored 'Trans proline' 0 CA--C 1.515 -0.434 0 C-N-CA 124.712 3.608 . . . . 47.23 114.873 -170.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.256 0 CA-C-N 114.139 -1.391 . . . . 25.36 112.738 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.83 -56.85 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 120.808 2.304 . . . . 20.7 109.031 -167.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.63 124.56 31.59 Favored Pre-proline 0 N--CA 1.467 0.381 0 O-C-N 119.19 -2.194 . . . . 20.63 105.453 -170.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.89 40.34 Favored 'Trans proline' 0 C--O 1.246 0.897 0 C-N-CA 124.602 3.535 . . . . 23.63 112.315 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.68 54.93 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.841 3.027 . . . . 17.49 110.266 168.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.11 37.23 21.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 112.783 -2.008 . . . . 28.26 112.118 172.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.03 133.64 35.54 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.201 1.364 . . . . 16.1 112.64 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 97.3 m -82.15 133.05 35.25 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.86 -1.163 . . . . 15.74 107.86 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.89 140.01 48.71 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.745 -1.205 . . . . 14.61 107.745 -174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.62 128.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 122.15 0.976 . . . . 14.46 109.01 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -117.71 140.03 50.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.874 -1.057 . . . . 14.6 110.931 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.25 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.667 -1.975 . . . . 15.34 105.667 166.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.12 130.84 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 120.42 1.464 . . . . 15.13 107.677 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.16 31.28 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.278 -1.008 . . . . 35.49 108.278 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.2 102.81 14.25 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 123.098 1.427 . . . . 17.35 108.262 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.49 -46.01 42.26 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 113.325 -1.761 . . . . 26.84 114.873 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.92 6.45 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.007 -1.479 . . . . 74.94 107.007 -163.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.3 mt -115.19 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 107.065 -1.457 . . . . 28.26 107.065 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.187 -1.042 . . . . 62.18 108.187 171.49 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.858 0 CA-C-O 124.899 2.285 . . . . 73.77 115.649 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.41 113.45 20.81 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 102.482 -3.155 . . . . 35.3 102.482 -172.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -151.95 141.29 15.03 Favored 'Isoleucine or valine' 0 C--O 1.259 1.59 1 C-N-CA 109.941 -4.703 . . . . 39.45 109.989 173.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' 1012 ' ' LEU 0.268 24.6 mt -74.28 153.58 39.32 Favored 'General case' 0 C--O 1.256 1.397 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.697 -172.481 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.9 m0 -66.51 -29.67 69.82 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 115.967 -1.968 . . . . 34.48 108.503 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.21 69.72 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 130.511 3.525 . . . . 53.71 109.19 173.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.63 -40.47 66.39 Favored 'General case' 0 C--N 1.377 1.803 0 O-C-N 119.823 -1.798 . . . . 63.11 109.861 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.411 50.7 ttm -71.16 -40.36 71.36 Favored 'General case' 1 N--CA 1.569 5.515 0 C-N-CA 112.086 -3.845 . . . . 48.7 103.175 -166.971 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.9 m95 -65.61 -37.08 85.58 Favored 'General case' 0 C--N 1.371 1.536 0 N-CA-C 115.336 1.606 . . . . 29.05 115.336 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -65.69 -46.68 78.13 Favored 'General case' 0 C--O 1.281 2.714 0 N-CA-C 106.958 -1.497 . . . . 35.1 106.958 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.298 7.6 tt0 -66.58 -41.41 88.59 Favored 'General case' 0 C--O 1.278 2.593 0 N-CA-C 114.242 1.201 . . . . 61.75 114.242 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.73 -44.17 95.23 Favored Glycine 0 C--O 1.18 -3.243 0 CA-C-O 116.448 -2.307 . . . . 29.17 112.578 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.01 -43.98 94.01 Favored 'General case' 0 C--O 1.285 2.968 0 O-C-N 125.218 1.187 . . . . 25.27 108.642 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.22 -47.62 80.86 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 128.638 2.775 . . . . 49.28 109.381 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.09 -42.91 65.6 Favored 'General case' 0 C--O 1.188 -2.158 0 O-C-N 124.912 1.382 . . . . 58.72 110.389 -176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.37 83.58 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.097 -1.43 . . . . 26.56 107.807 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -36.03 76.19 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 116.912 -1.915 . . . . 29.49 115.291 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.41 -43.79 96.51 Favored 'General case' 0 C--O 1.296 3.548 0 C-N-CA 116.832 -1.947 . . . . 86.67 114.658 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.5 -40.48 91.54 Favored 'General case' 0 N--CA 1.436 -1.147 0 O-C-N 119.054 -2.278 . . . . 37.87 114.413 175.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.22 -61.86 1.83 Allowed 'General case' 0 CA--C 1.596 2.727 0 CA-C-O 116.641 -1.647 . . . . 39.32 107.179 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -73.61 -38.06 65.22 Favored 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 115.766 1.765 . . . . 37.26 115.766 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.31 -53.06 3.99 Favored Glycine 0 N--CA 1.408 -3.226 0 C-N-CA 126.274 1.892 . . . . 50.14 109.16 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.59 -6.64 46.09 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 118.997 2.962 . . . . 83.84 118.997 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.1 32.72 20.61 Favored 'General case' 0 CA--C 1.559 1.302 0 CA-C-O 117.674 -1.155 . . . . 55.11 110.131 -171.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -106.65 93.11 4.4 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.57 1.169 . . . . 34.24 111.902 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.9 t -72.72 -42.29 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 C-N-CA 126.046 1.738 . . . . 33.92 106.946 -175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -54.04 -42.11 68.83 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 116.078 -2.249 . . . . 74.08 112.145 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -71.06 -42.53 58.85 Favored Glycine 1 C--O 1.104 -8.027 0 N-CA-C 107.003 -2.439 . . . . 26.89 107.003 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.2 -40.7 71.06 Favored 'General case' 0 C--O 1.283 2.865 0 O-C-N 118.512 -2.757 . . . . 31.12 116.339 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -66.32 -44.65 82.76 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 115.447 -2.216 . . . . 36.8 112.232 172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.692 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.22 -41.52 72.16 Favored 'General case' 0 N--CA 1.408 -2.552 1 O-C-N 129.724 4.39 . . . . 55.15 110.517 -178.104 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 76.0 t -66.59 -48.74 79.44 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 116.179 -1.867 . . . . 28.85 113.335 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.1 -27.23 57.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 120.876 1.671 . . . . 32.61 111.194 -172.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.418 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.31 57.9 Favored Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 117.109 -1.837 . . . . 77.99 115.77 -173.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' B' 1042 ' ' GLU . 29.1 Cg_endo -71.99 -27.16 17.68 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.981 3.121 . . . . 37.5 110.669 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.711 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.8 mt -69.09 -46.81 66.82 Favored 'General case' 0 C--O 1.29 3.215 0 C-N-CA 113.934 -3.106 . . . . 38.03 111.518 176.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.63 85.75 Favored 'General case' 0 CA--C 1.566 1.585 0 C-N-CA 117.19 -1.804 . . . . 28.46 112.078 175.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -65.0 -36.23 83.73 Favored 'General case' 1 N--CA 1.543 4.2 0 CA-C-O 115.04 -2.41 . . . . 33.73 108.347 -175.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.4 ttp -62.0 -42.98 99.74 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.451 -2.899 . . . . 83.57 115.767 169.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.1 mmm -55.92 -44.71 78.56 Favored 'General case' 0 C--O 1.218 -0.564 1 O-C-N 115.998 -4.188 . . . . 45.57 109.519 172.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -52.66 -40.24 62.65 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 125.001 1.438 . . . . 75.24 112.966 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.65 74.49 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.027 -2.416 . . . . 91.25 111.112 179.598 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.59 152.25 12.12 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-N 121.851 2.114 . . . . 53.21 112.672 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.91 141.54 40.8 Favored 'Trans proline' 0 N--CA 1.418 -2.928 0 C-N-CA 123.375 2.716 . . . . 40.63 111.811 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -122.56 0.95 9.46 Favored 'General case' 1 C--O 1.138 -4.777 0 O-C-N 118.015 -2.928 . . . . 76.62 115.457 174.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.14 163.12 23.82 Favored 'General case' 0 C--O 1.285 2.945 0 O-C-N 120.218 -1.551 . . . . 36.06 111.423 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.75 -45.23 86.18 Favored 'General case' 0 N--CA 1.518 2.939 0 O-C-N 119.788 -1.82 . . . . 38.7 109.07 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.99 -32.09 73.51 Favored 'General case' 0 C--O 1.302 3.839 0 C-N-CA 127.236 2.214 . . . . 50.36 111.074 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.78 -38.71 67.19 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 125.042 2.353 . . . . 33.39 107.37 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.46 -41.06 80.74 Favored 'General case' 0 C--N 1.381 1.945 0 CA-C-N 113.235 -1.802 . . . . 39.1 109.375 -174.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.46 -34.94 65.62 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 114.906 -2.717 . . . . 32.16 106.403 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 25.9 t80 -61.38 -43.79 98.27 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 120.446 1.475 . . . . 31.86 109.695 174.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.98 -42.21 94.75 Favored 'General case' 0 C--O 1.257 1.462 0 C-N-CA 119.682 -0.807 . . . . 38.09 111.814 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.24 -44.21 71.57 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 115.569 1.692 . . . . 28.08 115.569 171.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.15 -39.09 34.38 Favored 'General case' 0 C--O 1.212 -0.886 0 O-C-N 127.661 3.1 . . . . 28.68 113.136 -176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.39 1.43 12.37 Favored 'General case' 0 C--O 1.28 2.702 0 CA-C-O 112.506 -3.616 . . . . 42.11 112.157 -170.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.27 -50.54 50.11 Favored Glycine 0 C--O 1.169 -3.944 0 CA-C-N 121.997 2.18 . . . . 31.31 108.589 -167.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.25 -45.1 94.41 Favored 'General case' 0 C--O 1.258 1.525 0 C-N-CA 117.62 -1.632 . . . . 88.51 112.323 -177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.9 -43.8 91.09 Favored 'General case' 0 C--O 1.273 2.3 0 O-C-N 120.613 -1.305 . . . . 40.94 110.548 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.97 -37.33 81.4 Favored 'General case' 0 C--O 1.268 2.027 0 C-N-CA 116.753 -1.979 . . . . 25.06 111.053 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.77 -46.11 90.99 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 120.958 -1.089 . . . . 63.84 109.256 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -58.46 -41.58 85.49 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.369 173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.51 94.17 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 119.978 1.263 . . . . 30.52 108.186 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.31 -38.45 77.11 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 115.35 -2.262 . . . . 46.04 114.888 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -62.54 -42.01 99.25 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-N 122.915 2.598 . . . . 79.1 110.192 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.3 m95 -59.23 -46.42 88.53 Favored 'General case' 0 C--O 1.264 1.835 0 C-N-CA 118.29 -1.364 . . . . 45.28 111.899 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 51.0 m -56.41 -45.73 80.51 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 113.625 -3.23 . . . . 37.28 111.122 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -62.0 -32.32 72.78 Favored 'General case' 0 C--O 1.27 2.138 0 O-C-N 120.034 -1.666 . . . . 45.73 109.289 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.9 mttt -60.93 -41.9 97.09 Favored 'General case' 0 C--O 1.259 1.575 0 CA-C-O 124.53 2.11 . . . . 72.23 113.762 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.31 -39.58 91.01 Favored 'General case' 0 CA--C 1.573 1.862 0 CA-C-N 113.369 -1.742 . . . . 34.96 113.892 176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.75 74.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 127.435 2.96 . . . . 46.8 108.08 179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.3 -39.91 13.16 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.554 -0.906 . . . . 70.07 108.554 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.4 p -76.31 -34.5 59.04 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 116.808 -3.683 . . . . 41.74 115.447 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.5 15.18 75.14 Favored Glycine 0 N--CA 1.493 2.475 2 O-C-N 114.197 -5.314 . . . . 28.2 111.121 -169.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.55 22.66 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 112.86 -3.447 . . . . 61.4 109.764 -176.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.288 7.2 p -52.22 -26.6 8.93 Favored 'Isoleucine or valine' 1 C--O 1.315 4.522 0 CA-C-N 124.137 3.153 . . . . 42.78 115.181 -178.95 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.552 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.02 -31.35 66.9 Favored 'General case' 0 N--CA 1.424 -1.737 1 O-C-N 116.291 -4.006 . . . . 73.61 113.522 171.419 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.28 -36.69 77.32 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 115.235 -2.586 . . . . 40.58 109.793 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.0 tp -73.63 -27.67 61.39 Favored 'General case' 0 C--O 1.292 3.336 0 C-N-CA 118.25 -1.38 . . . . 43.18 111.597 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.552 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.7 p -64.52 -40.77 96.24 Favored 'General case' 1 N--CA 1.545 4.298 1 C-N-CA 110.052 -4.659 . . . . 44.02 105.473 179.005 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.35 -33.61 71.37 Favored 'General case' 0 N--CA 1.522 3.141 1 CA-C-O 128.87 4.176 . . . . 58.1 109.886 -171.504 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.9 84.4 Favored 'General case' 0 N--CA 1.538 3.931 0 CA-C-N 108.473 -3.967 . . . . 24.53 111.024 175.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.0 -21.95 61.49 Favored 'General case' 0 C--N 1.413 3.353 0 CA-C-O 116.544 -1.693 . . . . 33.52 111.639 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.25 -40.34 81.97 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 121.178 1.808 . . . . 40.54 108.582 177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.23 -37.17 66.47 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-O 114.318 -2.753 . . . . 30.94 108.819 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.13 -39.7 93.41 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 126.943 2.652 . . . . 25.15 111.194 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.16 -41.09 77.72 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 116.144 -1.884 . . . . 27.38 106.382 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.712 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.1 t60 -58.9 -46.56 87.58 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 116.642 -1.647 . . . . 51.51 107.871 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.1 t -54.37 -49.76 62.16 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 O-C-N 125.221 1.576 . . . . 24.78 113.096 173.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.68 -43.22 89.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 120.161 -1.587 . . . . 29.26 113.446 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.63 -42.16 95.68 Favored 'General case' 0 N--CA 1.407 -2.605 0 CA-C-O 111.813 -3.946 . . . . 39.22 109.445 176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.712 HH21 ' CD2' ' B' 1096 ' ' HIS . 24.9 mtm180 -64.83 -40.46 95.22 Favored 'General case' 0 N--CA 1.504 2.27 1 O-C-N 129.292 4.12 . . . . 86.15 109.975 -178.233 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . 0.401 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.61 -28.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.008 -1.057 . . . . 44.12 110.727 177.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--O 1.27 2.165 0 C-N-CA 124.449 1.1 . . . . 45.24 111.716 -172.242 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.709 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.881 0 N-CA-C 109.3 -1.52 . . . . 16.11 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.31 129.08 59.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.348 -1.723 . . . . 18.43 106.348 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.01 132.81 49.89 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 106.145 -1.798 . . . . 72.87 106.145 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.85 116.32 52.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 121.995 2.18 . . . . 16.89 105.265 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.07 125.75 53.88 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.567 -1.333 . . . . 39.66 108.784 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.7 m -70.84 128.83 37.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 121.842 2.11 . . . . 18.55 115.886 -174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.3 -43.45 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.285 -1.006 . . . . 15.34 108.285 169.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.1 135.35 11.89 Favored Pre-proline 0 C--O 1.24 0.559 0 N-CA-C 105.842 -1.91 . . . . 42.67 105.842 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.44 145.07 57.85 Favored 'Trans proline' 0 N--CA 1.441 -1.561 0 C-N-CA 123.131 2.554 . . . . 20.98 114.636 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.2 37.18 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 108.958 -1.657 . . . . 24.91 108.958 170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.3 -9.36 59.21 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 114.951 1.463 . . . . 28.85 114.951 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.64 15.59 66.62 Favored Glycine 0 CA--C 1.525 0.657 0 O-C-N 121.669 -0.645 . . . . 19.67 114.384 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.457 1.628 . . . . 98.27 112.221 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.2 m -98.07 103.57 15.52 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.373 1.069 . . . . 20.68 112.38 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.24 148.51 39.7 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-O 115.647 -2.121 . . . . 22.03 108.459 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.556 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -62.02 145.86 96.49 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 123.679 2.919 . . . . 27.68 111.265 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.98 153.19 21.76 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 105.864 -1.902 . . . . 88.66 105.864 170.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.46 132.78 45.23 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.152 -1.055 . . . . 99.06 108.152 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.63 -14.2 63.57 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 118.52 -1.156 . . . . 28.49 112.605 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -79.49 151.74 30.61 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 121.19 2.495 . . . . 35.54 109.781 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.2 m -83.87 120.49 26.13 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 125.357 1.661 . . . . 23.17 109.147 170.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.24 35.32 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 107.771 -1.196 . . . . 17.72 107.771 172.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.71 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 106.422 -1.695 . . . . 14.36 106.422 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.33 157.46 42.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 O-C-N 121.665 -0.647 . . . . 11.27 112.202 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.0 144.19 37.3 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.302 -0.999 . . . . 20.93 108.302 158.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.477 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.4 p90 -143.49 155.52 44.37 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-O 121.485 0.66 . . . . 14.55 112.446 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.11 132.22 47.35 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 104.132 -2.544 . . . . 14.19 104.132 166.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.49 142.01 16.94 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.438 -1.065 . . . . 15.91 110.438 177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.37 157.3 43.76 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.921 0.867 . . . . 33.26 109.457 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.7 mt -74.89 142.51 44.05 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.304 -1.369 . . . . 36.95 107.304 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.59 120.14 6.77 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 120.641 1.564 . . . . 72.56 109.497 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.33 45.49 23.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 124.429 2.061 . . . . 71.74 115.68 -172.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.56 6.78 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 111.723 -2.49 . . . . 48.7 110.996 -175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.72 135.74 43.66 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 110.904 -2.648 . . . . 83.47 110.693 -168.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.5 40.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 N-CA-C 108.352 -0.981 . . . . 73.09 108.352 160.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.76 -18.27 11.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 118.574 -0.726 . . . . 20.97 111.112 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.14 151.5 15.86 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 121.718 2.054 . . . . 22.26 113.347 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.39 128.74 7.57 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.557 -1.646 . . . . 23.31 106.557 174.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.19 -19.91 61.0 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.22 -0.592 . . . . 19.07 111.281 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.72 -41.32 96.07 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.739 -1.226 . . . . 50.14 110.961 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.85 -41.37 61.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 124.296 1.998 . . . . 77.19 112.384 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 -81.27 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.384 -2.644 . . . . 68.77 112.589 -174.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 60.0 13.52 3.77 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.889 0.876 . . . . 92.53 111.483 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.19 129.27 24.55 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 120.257 -1.527 . . . . 86.18 108.135 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -75.1 152.53 40.43 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.671 2.914 . . . . 32.99 107.776 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.0 140.61 29.71 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.362 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.439 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.14 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 106.512 -1.662 . . . . 31.31 106.512 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.67 158.83 44.41 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.01 -0.995 . . . . 24.29 108.529 172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.67 123.98 44.46 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-O 122.378 1.085 . . . . 52.57 108.395 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.39 136.99 52.43 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.039 -1.437 . . . . 23.88 108.505 -175.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.95 -5.66 83.15 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-O 117.654 -1.637 . . . . 41.17 114.726 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.17 9.89 34.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 121.351 2.575 . . . . 79.21 115.119 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.66 34.43 12.76 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.826 2.158 . . . . 66.86 116.826 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.13 -29.57 61.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 120.734 -1.229 . . . . 26.18 112.48 173.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.51 167.5 18.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.799 0.809 . . . . 13.3 110.456 -174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.44 153.66 2.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 122.032 0.92 . . . . 11.35 112.664 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.37 -38.6 74.46 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.364 1.616 . . . . 64.64 115.364 -173.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.56 76.95 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-O 118.81 -0.995 . . . . 12.57 113.837 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.71 -43.2 48.28 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 118.302 -0.856 . . . . 14.82 108.727 174.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.96 -45.68 82.69 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.553 1.069 . . . . 44.5 112.031 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.94 -34.11 39.1 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 114.148 1.166 . . . . 52.63 114.148 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.8 -53.14 21.08 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.556 -0.617 . . . . 14.21 111.556 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.57 -33.21 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.405 0.52 . . . . 13.3 112.405 -177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.11 -24.97 43.82 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 116.204 1.927 . . . . 11.35 116.204 175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.38 13.4 33.34 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.397 -1.439 . . . . 18.89 111.723 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.48 146.96 27.35 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.403 -1.332 . . . . 14.13 107.403 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.9 p -101.43 163.18 12.4 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 119.668 -0.813 . . . . 15.47 112.416 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.83 130.63 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 CA-C-N 118.482 0.583 . . . . 22.97 109.828 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.73 61.44 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.48 1.113 . . . . 16.68 113.102 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -73.85 144.42 45.46 Favored 'General case' 0 N--CA 1.431 -1.4 0 O-C-N 121.799 -0.824 . . . . 16.0 109.472 -174.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.6 56.19 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 105.991 -1.855 . . . . 19.71 105.991 168.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.81 44.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 122.355 1.074 . . . . 11.91 113.594 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.33 121.94 35.22 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 104.22 -2.511 . . . . 40.73 104.22 171.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.7 119.85 39.97 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 117.974 -1.013 . . . . 26.74 108.484 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.25 123.93 48.24 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 121.389 1.904 . . . . 13.86 107.425 172.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.6 mt -123.58 125.15 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-O 123.521 1.629 . . . . 11.09 107.398 -167.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.709 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.4 p -73.67 158.43 86.25 Favored Pre-proline 0 CA--C 1.514 -0.412 0 CA-C-O 117.036 -1.459 . . . . 15.98 108.444 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -57.24 -36.33 99.01 Favored 'Trans proline' 0 CA--C 1.504 -0.99 0 C-N-CA 124.981 3.787 . . . . 16.36 112.73 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.14 -15.19 63.48 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 114.241 1.2 . . . . 25.87 114.241 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.04 7.05 39.04 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.324 -0.86 . . . . 40.19 111.247 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.57 -117.59 0.22 Allowed 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 105.532 -2.025 . . . . 14.63 105.532 -174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -106.51 2.67 26.39 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 116.968 -3.582 . . . . 14.49 114.833 -174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.43 -146.81 50.61 Favored Glycine 0 C--N 1.338 0.679 0 N-CA-C 115.37 0.908 . . . . 13.72 115.37 165.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.4 -10.86 59.75 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 118.535 -1.266 . . . . 19.9 112.046 -172.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.91 -33.33 13.53 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 119.865 -1.772 . . . . 46.16 112.032 -178.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.95 -169.59 54.64 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 108.694 -1.762 . . . . 15.03 108.694 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.63 110.29 37.25 Favored Pre-proline 0 N--CA 1.439 -1.017 0 N-CA-C 103.785 -2.672 . . . . 16.17 103.785 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.6 Cg_endo -47.98 127.0 14.01 Favored 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 124.737 3.625 . . . . 47.23 114.905 -170.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.1 -20.61 28.42 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 114.131 -1.395 . . . . 25.36 112.732 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.78 -56.83 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 120.765 2.282 . . . . 20.7 109.055 -167.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.436 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.62 31.49 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.206 -2.184 . . . . 20.63 105.494 -170.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.5 Cg_exo -69.84 162.97 40.1 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.548 3.499 . . . . 23.63 112.304 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -53.19 142.66 55.02 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.899 3.066 . . . . 17.49 110.232 168.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 60.06 37.28 21.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.792 -2.003 . . . . 28.26 112.098 172.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -91.98 133.54 35.61 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 120.168 1.349 . . . . 16.1 112.688 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.3 m -82.03 132.95 35.26 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 107.884 -1.154 . . . . 15.74 107.884 167.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.2 mt -113.87 140.05 48.67 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.736 -1.209 . . . . 14.61 107.736 -174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.18 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 122.071 0.939 . . . . 14.46 109.074 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.7 140.01 50.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.925 -1.034 . . . . 14.6 110.962 177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.0 t0 -98.22 116.81 31.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 105.692 -1.966 . . . . 15.34 105.692 166.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.4 t -127.11 130.84 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.508 1.503 . . . . 15.13 107.698 -172.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.86 118.19 31.34 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.18 102.75 14.19 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 123.063 1.411 . . . . 17.35 108.301 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.47 -45.95 42.81 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.359 -1.746 . . . . 26.84 114.92 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.64 153.88 6.35 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.057 -1.46 . . . . 74.94 107.057 -163.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.18 140.44 49.08 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.031 -1.47 . . . . 28.26 107.031 172.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 108.204 -1.035 . . . . 62.18 108.204 171.461 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.846 0 CA-C-O 124.944 2.306 . . . . 73.77 115.581 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.34 113.48 20.88 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 102.507 -3.146 . . . . 35.3 102.507 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 15.9 tt -151.93 141.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 1 C-N-CA 109.955 -4.698 . . . . 39.45 109.877 173.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.0 mt -74.24 153.49 39.4 Favored 'General case' 0 C--O 1.256 1.425 0 C-N-CA 114.961 -2.696 . . . . 43.73 108.734 -172.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.45 -29.68 69.86 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-O 115.977 -1.963 . . . . 34.48 108.488 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.51 -47.07 70.22 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 130.562 3.545 . . . . 53.71 109.121 173.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.68 -40.58 66.15 Favored 'General case' 0 C--N 1.377 1.783 0 O-C-N 119.737 -1.852 . . . . 63.11 109.88 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.5 ttm -71.04 -40.33 71.77 Favored 'General case' 1 N--CA 1.57 5.566 0 C-N-CA 112.097 -3.841 . . . . 48.7 103.289 -167.069 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.8 m95 -65.66 -37.15 85.71 Favored 'General case' 0 C--N 1.372 1.586 0 N-CA-C 115.292 1.59 . . . . 29.05 115.292 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.63 -46.68 78.34 Favored 'General case' 0 C--O 1.281 2.733 0 N-CA-C 106.97 -1.493 . . . . 35.1 106.97 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.5 -41.47 88.86 Favored 'General case' 0 C--O 1.277 2.536 0 N-CA-C 114.245 1.202 . . . . 61.75 114.245 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.63 -44.29 95.21 Favored Glycine 0 CA--C 1.565 3.197 0 CA-C-O 116.417 -2.324 . . . . 29.17 112.53 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.97 -44.02 94.02 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 125.294 1.232 . . . . 25.27 108.653 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.23 -47.6 80.92 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 128.714 2.806 . . . . 49.28 109.339 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.14 -42.92 65.42 Favored 'General case' 0 C--O 1.188 -2.169 0 O-C-N 124.799 1.312 . . . . 58.72 110.375 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.64 -45.36 83.33 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 117.017 -1.468 . . . . 26.56 107.748 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.87 -36.06 76.1 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 116.842 -1.943 . . . . 29.49 115.327 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.29 -43.99 96.31 Favored 'General case' 0 C--O 1.296 3.539 0 C-N-CA 116.851 -1.94 . . . . 86.67 114.644 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.4 -40.37 90.69 Favored 'General case' 0 N--CA 1.435 -1.207 0 O-C-N 119.13 -2.231 . . . . 37.87 114.516 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.4 t80 -81.28 -61.91 1.81 Allowed 'General case' 0 CA--C 1.594 2.667 0 CA-C-O 116.773 -1.584 . . . . 39.32 107.193 -174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.61 -37.99 65.23 Favored 'General case' 0 N--CA 1.511 2.584 0 N-CA-C 115.846 1.795 . . . . 37.26 115.846 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.36 -53.05 3.98 Favored Glycine 0 N--CA 1.409 -3.16 0 C-N-CA 126.313 1.911 . . . . 50.14 109.102 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.64 -6.62 46.0 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.979 2.955 . . . . 83.84 118.979 -174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 56.02 32.75 20.52 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 117.67 -1.157 . . . . 55.11 110.159 -171.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -106.69 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.614 1.196 . . . . 34.24 111.95 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.83 -42.17 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 C-N-CA 126.073 1.749 . . . . 33.92 107.001 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.693 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.96 -42.28 68.74 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 116.103 -2.239 . . . . 74.08 112.14 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.63 60.25 Favored Glycine 1 C--O 1.104 -7.986 0 N-CA-C 107.07 -2.412 . . . . 26.89 107.07 -173.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.6 ttp -55.31 -40.6 71.33 Favored 'General case' 0 C--O 1.284 2.92 0 O-C-N 118.559 -2.73 . . . . 31.12 116.246 172.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.35 -44.71 82.48 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 115.456 -2.212 . . . . 36.8 112.172 172.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' B' 1035 ' ' LYS . 74.0 mt-10 -55.1 -41.65 71.9 Favored 'General case' 0 N--CA 1.407 -2.591 1 O-C-N 129.662 4.351 . . . . 55.15 110.571 -178.122 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.2 t -66.46 -48.66 79.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 CA-C-O 116.175 -1.869 . . . . 28.85 113.447 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.21 -27.37 56.81 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.935 1.698 . . . . 32.61 111.124 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.27 -40.32 59.02 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.258 1.844 . . . . 77.99 115.797 -173.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.8 Cg_endo -71.98 -27.17 17.71 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 C-N-CA 123.948 3.099 . . . . 37.5 110.665 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.2 mt -69.14 -46.72 66.91 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 113.957 -3.097 . . . . 38.03 111.522 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -60.82 -38.61 86.01 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 117.119 -1.832 . . . . 28.46 112.11 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.83 -36.26 83.78 Favored 'General case' 1 N--CA 1.543 4.18 0 CA-C-O 115.053 -2.403 . . . . 33.73 108.457 -175.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.944 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.394 13.4 ttp -62.07 -42.92 99.7 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 114.469 -2.893 . . . . 83.57 115.714 169.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.12 -44.51 79.19 Favored 'General case' 0 C--O 1.218 -0.579 1 O-C-N 116.036 -4.165 . . . . 45.57 109.525 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.78 -40.26 63.02 Favored 'General case' 0 C--O 1.256 1.411 0 O-C-N 124.958 1.411 . . . . 75.24 112.863 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.498 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.88 -32.77 74.63 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 115.169 -2.348 . . . . 91.25 111.107 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.65 152.32 12.11 Favored Glycine 0 N--CA 1.462 0.399 0 CA-C-N 121.81 2.095 . . . . 53.21 112.622 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -70.87 141.53 40.93 Favored 'Trans proline' 0 N--CA 1.418 -2.946 0 C-N-CA 123.292 2.661 . . . . 40.63 111.874 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -122.61 1.06 9.44 Favored 'General case' 1 C--O 1.139 -4.713 0 O-C-N 118.042 -2.911 . . . . 76.62 115.439 174.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.1 p -126.18 163.07 23.95 Favored 'General case' 0 C--O 1.284 2.909 0 O-C-N 120.113 -1.617 . . . . 36.06 111.486 170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.78 -45.18 86.37 Favored 'General case' 0 N--CA 1.519 2.978 0 O-C-N 119.823 -1.798 . . . . 38.7 109.105 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -63.96 -32.18 73.63 Favored 'General case' 0 C--O 1.302 3.86 0 C-N-CA 127.179 2.192 . . . . 50.36 111.02 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -72.66 -38.7 67.55 Favored 'General case' 0 C--N 1.282 -2.338 0 CA-C-O 125.048 2.356 . . . . 33.39 107.428 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.4 m -68.39 -41.0 81.14 Favored 'General case' 0 C--N 1.382 1.986 0 CA-C-N 113.205 -1.816 . . . . 39.1 109.442 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.6 p -73.59 -34.81 65.25 Favored 'General case' 0 N--CA 1.526 3.365 0 C-N-CA 114.991 -2.684 . . . . 32.16 106.374 -175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.2 t80 -61.58 -43.64 98.49 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 120.505 1.502 . . . . 31.86 109.607 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.09 -42.23 94.26 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 119.66 -0.816 . . . . 38.09 111.757 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.16 -44.34 71.37 Favored 'General case' 0 CA--C 1.6 2.876 0 N-CA-C 115.517 1.673 . . . . 28.08 115.517 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.07 -39.09 34.72 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 127.648 3.092 . . . . 28.68 113.159 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -117.43 1.31 12.33 Favored 'General case' 0 C--O 1.28 2.698 0 CA-C-O 112.504 -3.617 . . . . 42.11 111.993 -170.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.31 -50.46 50.43 Favored Glycine 1 C--O 1.167 -4.067 0 CA-C-N 122.091 2.223 . . . . 31.31 108.563 -167.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.35 -45.11 94.64 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 117.633 -1.627 . . . . 88.51 112.219 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.73 -43.87 90.31 Favored 'General case' 0 C--O 1.27 2.16 0 O-C-N 120.593 -1.317 . . . . 40.94 110.685 177.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.3 mt -68.08 -37.16 80.92 Favored 'General case' 0 C--O 1.269 2.094 0 C-N-CA 116.64 -2.024 . . . . 25.06 111.05 -176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.97 -45.97 91.31 Favored 'General case' 0 CA--C 1.558 1.256 0 O-C-N 120.861 -1.149 . . . . 63.84 109.216 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.56 -41.59 85.97 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 117.605 -1.188 . . . . 46.34 113.292 173.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.48 94.31 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.99 1.268 . . . . 30.52 108.167 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -58.29 -38.43 77.01 Favored 'General case' 0 C--N 1.377 1.787 0 CA-C-O 115.416 -2.23 . . . . 46.04 114.903 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -41.96 99.27 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 122.888 2.585 . . . . 79.1 110.107 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.1 m95 -59.28 -46.42 88.58 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 118.314 -1.354 . . . . 45.28 111.814 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.559 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.5 m -56.41 -45.71 80.53 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 113.72 -3.192 . . . . 37.28 111.106 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -62.08 -32.31 72.84 Favored 'General case' 0 C--O 1.271 2.195 0 O-C-N 119.987 -1.696 . . . . 45.73 109.249 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.7 mttt -60.81 -42.13 97.05 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-O 124.547 2.118 . . . . 72.23 113.672 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.7 t80 -61.17 -39.54 90.52 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 113.367 -1.742 . . . . 34.96 113.898 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.559 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.77 -41.8 74.58 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 127.481 2.988 . . . . 46.8 107.995 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.37 -39.76 13.21 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.515 -0.92 . . . . 70.07 108.515 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.42 -34.52 58.78 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 116.928 -3.608 . . . . 41.74 115.396 -178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.62 15.16 75.41 Favored Glycine 0 N--CA 1.492 2.431 2 O-C-N 114.162 -5.336 . . . . 28.2 111.137 -169.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.67 110.56 22.68 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 112.828 -3.463 . . . . 61.4 109.652 -176.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.42 9.15 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.148 3.158 . . . . 42.78 115.241 -179.019 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.551 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.25 66.97 Favored 'General case' 0 N--CA 1.424 -1.729 0 O-C-N 116.359 -3.963 . . . . 73.61 113.585 171.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.72 77.32 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 115.215 -2.594 . . . . 40.58 109.732 174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.6 tp -73.54 -27.84 61.56 Favored 'General case' 0 C--O 1.292 3.333 0 C-N-CA 118.376 -1.33 . . . . 43.18 111.57 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.551 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.9 p -64.45 -40.8 96.41 Favored 'General case' 1 N--CA 1.544 4.24 1 C-N-CA 110.006 -4.678 . . . . 44.02 105.552 179.045 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.302 11.5 mm100 -59.31 -33.6 71.29 Favored 'General case' 0 N--CA 1.521 3.094 1 CA-C-O 128.991 4.234 . . . . 58.1 109.887 -171.525 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.84 84.23 Favored 'General case' 0 N--CA 1.537 3.881 0 CA-C-N 108.466 -3.97 . . . . 24.53 111.042 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 64.8 m95 -72.28 -21.58 61.34 Favored 'General case' 0 C--N 1.414 3.406 0 CA-C-O 116.482 -1.723 . . . . 33.52 111.553 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.5 -40.3 80.93 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.183 1.81 . . . . 40.54 108.5 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.23 -37.14 66.49 Favored 'General case' 0 C--O 1.28 2.678 0 CA-C-O 114.29 -2.767 . . . . 30.94 108.789 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.21 -39.58 92.98 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 126.927 2.642 . . . . 25.15 111.225 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.13 -41.14 77.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 116.237 -1.84 . . . . 27.38 106.466 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.711 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.4 t60 -58.86 -46.67 87.22 Favored 'General case' 0 N--CA 1.512 2.662 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.874 179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.8 t -54.27 -49.72 61.42 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 O-C-N 125.177 1.548 . . . . 24.78 113.145 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.67 -43.12 89.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 120.236 -1.54 . . . . 29.26 113.434 -175.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.1 mtp85 -64.79 -42.09 95.33 Favored 'General case' 0 N--CA 1.405 -2.688 0 CA-C-O 111.729 -3.986 . . . . 39.22 109.421 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.711 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.87 -40.46 95.16 Favored 'General case' 0 N--CA 1.504 2.263 1 O-C-N 129.4 4.188 . . . . 86.15 109.879 -178.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . 0.403 HD13 HG21 ' B' 1101 ' ' ILE . 77.9 mt -64.75 -28.63 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 121.006 -1.059 . . . . 44.12 110.65 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.269 2.117 0 C-N-CA 124.585 1.154 . . . . 45.24 111.714 -172.266 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.693 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.246 0.891 0 N-CA-C 109.313 -1.515 . . . . 16.11 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.25 129.11 59.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.335 -1.728 . . . . 18.43 106.335 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.0 132.8 49.89 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.149 -1.796 . . . . 72.87 106.149 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.3 t -113.82 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 121.987 2.176 . . . . 16.89 105.254 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.06 125.78 53.93 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 120.512 -1.367 . . . . 39.66 108.76 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.5 m -70.88 128.83 37.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 121.796 2.089 . . . . 18.55 115.92 -175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.0 mt -91.25 -43.45 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.322 -0.992 . . . . 15.34 108.322 169.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.4 11.93 Favored Pre-proline 0 C--O 1.239 0.541 0 N-CA-C 105.822 -1.918 . . . . 42.67 105.822 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -69.42 145.08 57.96 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 C-N-CA 123.119 2.546 . . . . 20.98 114.678 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.87 -162.25 37.24 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 108.929 -1.668 . . . . 24.91 108.929 170.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -78.31 -9.32 59.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.023 1.49 . . . . 28.85 115.023 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.61 15.61 66.58 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 121.616 -0.677 . . . . 19.67 114.392 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.11 -42.54 0.72 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 119.414 1.607 . . . . 98.27 112.256 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.63 15.59 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.398 1.079 . . . . 20.68 112.339 -176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -113.33 148.48 39.68 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-O 115.667 -2.111 . . . . 22.03 108.435 -175.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.96 145.78 96.64 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.723 2.949 . . . . 27.68 111.327 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.96 153.15 21.8 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 105.855 -1.906 . . . . 88.66 105.855 170.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.37 132.76 44.76 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.159 -1.052 . . . . 99.06 108.159 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 118.558 -1.134 . . . . 28.49 112.59 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -79.53 151.79 30.52 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 121.157 2.478 . . . . 35.54 109.749 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.5 m -83.88 120.46 26.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 125.348 1.655 . . . . 23.17 109.142 170.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.0 m -93.81 135.26 35.31 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 107.745 -1.206 . . . . 17.72 107.745 172.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.76 118.42 57.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 106.425 -1.694 . . . . 14.36 106.425 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.36 157.53 42.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 O-C-N 121.672 -0.642 . . . . 11.27 112.163 -170.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.22 37.32 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.276 -1.009 . . . . 20.93 108.276 158.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.51 155.59 44.37 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.484 0.659 . . . . 14.55 112.372 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 65.9 m -129.19 132.26 47.25 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 104.088 -2.56 . . . . 14.19 104.088 166.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.52 142.09 17.0 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.46 157.37 43.75 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 122.009 0.909 . . . . 33.26 109.388 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.91 142.53 44.01 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.275 -1.379 . . . . 36.95 107.275 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -55.56 120.13 6.74 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 120.663 1.574 . . . . 72.56 109.47 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 49.31 45.44 23.56 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 124.492 2.091 . . . . 71.74 115.715 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.06 -155.52 6.76 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 111.774 -2.467 . . . . 48.7 110.992 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -73.67 135.68 43.75 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 110.909 -2.645 . . . . 83.47 110.708 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.2 tttm -66.77 129.48 40.0 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 108.371 -0.974 . . . . 73.09 108.371 160.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -113.8 -18.25 11.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 118.521 -0.752 . . . . 20.97 111.054 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.17 151.54 15.85 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 121.722 2.056 . . . . 22.26 113.347 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.414 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.7 t -156.41 128.71 7.54 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.625 -1.62 . . . . 23.31 106.625 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.9 p -73.15 -19.98 61.01 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.269 -0.573 . . . . 19.07 111.278 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.69 -41.4 96.06 Favored 'General case' 0 C--O 1.224 -0.261 0 O-C-N 120.715 -1.241 . . . . 50.14 110.947 -177.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.77 -41.41 61.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 124.272 1.987 . . . . 77.19 112.429 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -81.2 -7.83 59.64 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 111.406 -2.634 . . . . 68.77 112.612 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 60.0 13.53 3.77 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.878 0.871 . . . . 92.53 111.446 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -125.18 129.3 24.55 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.293 -1.504 . . . . 86.18 108.172 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -75.16 152.55 40.16 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 123.65 2.9 . . . . 32.99 107.775 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -94.99 140.69 29.6 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 112.106 -2.315 . . . . 21.39 106.299 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.438 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.19 141.35 51.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 106.523 -1.658 . . . . 31.31 106.523 178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.7 158.87 44.45 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 114.969 -1.014 . . . . 24.29 108.493 172.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.72 124.05 44.58 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 122.392 1.091 . . . . 52.57 108.343 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.51 137.03 52.18 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.064 -1.426 . . . . 23.88 108.44 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 89.97 -5.72 83.09 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 117.725 -1.597 . . . . 41.17 114.783 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.467 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.13 9.89 34.0 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 121.321 2.561 . . . . 79.21 115.108 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.63 34.49 12.77 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 116.817 2.155 . . . . 66.86 116.817 -171.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.58 61.84 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 120.738 -1.227 . . . . 26.18 112.523 173.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.43 167.55 18.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.786 0.803 . . . . 13.3 110.504 -174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.53 153.71 2.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.997 0.903 . . . . 11.35 112.639 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -57.29 -38.65 74.28 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.388 1.625 . . . . 64.64 115.388 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.0 -31.58 77.07 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-O 118.856 -0.969 . . . . 12.57 113.844 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.72 -43.22 48.12 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 118.25 -0.881 . . . . 14.82 108.701 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.98 -45.71 82.74 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.523 1.056 . . . . 44.5 112.029 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.93 -34.01 39.24 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 114.198 1.184 . . . . 52.63 114.198 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.92 -53.08 20.94 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -33.13 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 112.401 0.519 . . . . 13.3 112.401 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.23 -24.88 45.07 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.219 1.933 . . . . 11.35 116.219 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.32 33.62 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 120.41 -1.431 . . . . 18.89 111.744 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.44 146.95 27.35 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.456 -1.313 . . . . 14.13 107.456 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.8 p -101.43 163.16 12.41 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 119.647 -0.821 . . . . 15.47 112.389 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.8 130.7 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 118.477 0.58 . . . . 22.97 109.814 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.75 -14.68 61.6 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.506 1.129 . . . . 16.68 113.116 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.94 144.42 45.29 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 121.783 -0.834 . . . . 16.0 109.442 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.23 130.64 56.19 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.951 -1.87 . . . . 19.71 105.951 168.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.93 151.77 44.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.384 1.088 . . . . 11.91 113.588 -176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.27 121.91 35.13 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 104.251 -2.5 . . . . 40.73 104.251 171.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.62 119.81 39.85 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 117.922 -1.037 . . . . 26.74 108.493 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.1 m -104.16 123.94 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 121.438 1.926 . . . . 13.86 107.421 172.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.8 mt -123.61 125.14 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-O 123.541 1.639 . . . . 11.09 107.4 -167.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.693 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.64 158.38 86.35 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 117.031 -1.462 . . . . 15.98 108.421 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -57.23 -36.35 99.04 Favored 'Trans proline' 0 CA--C 1.504 -0.995 0 C-N-CA 125.004 3.803 . . . . 16.36 112.673 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.18 -15.15 63.46 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.21 1.189 . . . . 25.87 114.21 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.14 38.83 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.378 -0.826 . . . . 40.19 111.212 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.59 -117.61 0.22 Allowed 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 105.529 -2.026 . . . . 14.63 105.529 -174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.48 2.7 26.5 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 117.001 -3.562 . . . . 14.49 114.876 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.36 -146.79 50.59 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 115.363 0.905 . . . . 13.72 115.363 165.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.81 59.75 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 118.55 -1.26 . . . . 19.9 112.082 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.33 13.47 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.879 -1.763 . . . . 46.16 112.029 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.91 -169.53 54.63 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 108.731 -1.748 . . . . 15.03 108.731 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.47 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.66 110.31 37.18 Favored Pre-proline 0 N--CA 1.438 -1.054 0 N-CA-C 103.772 -2.677 . . . . 16.17 103.772 178.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.5 Cg_endo -48.04 127.07 14.26 Favored 'Trans proline' 0 CA--C 1.515 -0.462 0 C-N-CA 124.741 3.627 . . . . 47.23 114.842 -170.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.09 -20.65 28.17 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.112 -1.404 . . . . 25.36 112.68 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.4 mt -125.78 -56.86 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 120.783 2.292 . . . . 20.7 109.02 -167.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.427 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.6 mm -112.59 124.59 31.56 Favored Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 119.183 -2.198 . . . . 20.63 105.484 -170.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.4 Cg_exo -69.76 162.94 40.15 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.632 3.554 . . . . 23.63 112.301 176.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -53.22 142.65 55.33 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.879 3.053 . . . . 17.49 110.246 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.05 37.25 21.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 112.813 -1.994 . . . . 28.26 112.179 172.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.01 133.52 35.65 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 120.128 1.331 . . . . 16.1 112.66 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.0 133.02 35.27 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 107.932 -1.136 . . . . 15.74 107.932 167.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.92 139.99 48.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 107.726 -1.213 . . . . 14.61 107.726 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.57 128.16 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 122.107 0.956 . . . . 14.46 109.09 169.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -117.69 140.02 50.22 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.916 -1.038 . . . . 14.6 110.982 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.8 t0 -98.27 116.86 31.37 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.662 -1.977 . . . . 15.34 105.662 166.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.3 t -127.13 130.82 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 120.496 1.498 . . . . 15.13 107.68 -172.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.84 118.23 31.46 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.201 -1.037 . . . . 35.49 108.201 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.3 tp -86.25 102.76 14.24 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 123.143 1.449 . . . . 17.35 108.274 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.6 mt -74.43 -46.03 42.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.275 -1.784 . . . . 26.84 114.864 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.59 153.87 6.42 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.023 -1.473 . . . . 74.94 107.023 -163.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.15 140.48 49.04 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.018 -1.475 . . . . 28.26 107.018 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.212 -1.033 . . . . 62.18 108.212 171.411 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.557 4.885 0 CA-C-O 124.979 2.323 . . . . 73.77 115.628 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.46 113.5 20.86 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 102.377 -3.194 . . . . 35.3 102.377 -172.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . . . . . . . . . 16.0 tt -152.07 141.26 14.9 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 1 C-N-CA 109.913 -4.715 . . . . 39.45 109.889 173.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' 1012 ' ' LEU 0.263 25.1 mt -74.06 153.58 39.58 Favored 'General case' 0 C--O 1.257 1.48 0 C-N-CA 114.984 -2.686 . . . . 43.73 108.768 -172.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.52 -29.75 69.91 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 116.042 -1.932 . . . . 34.48 108.497 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.39 -47.07 69.84 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 130.512 3.525 . . . . 53.71 109.167 173.494 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -72.69 -40.57 66.14 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 119.868 -1.77 . . . . 63.11 109.853 -175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.409 50.5 ttm -71.11 -40.22 71.6 Favored 'General case' 1 N--CA 1.57 5.548 0 C-N-CA 112.075 -3.85 . . . . 48.7 103.317 -167.016 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.76 -37.03 85.24 Favored 'General case' 0 C--N 1.374 1.634 0 N-CA-C 115.352 1.612 . . . . 29.05 115.352 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -65.77 -46.56 78.3 Favored 'General case' 0 C--O 1.282 2.81 0 N-CA-C 106.919 -1.512 . . . . 35.1 106.919 -176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.3 7.6 tt0 -66.59 -41.51 88.4 Favored 'General case' 0 C--O 1.277 2.52 0 N-CA-C 114.226 1.195 . . . . 61.75 114.226 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.15 95.42 Favored Glycine 0 CA--C 1.565 3.177 0 CA-C-O 116.377 -2.346 . . . . 29.17 112.571 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.03 -44.0 93.85 Favored 'General case' 0 C--O 1.286 3.012 0 O-C-N 125.264 1.214 . . . . 25.27 108.661 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.25 -47.54 81.12 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 128.633 2.773 . . . . 49.28 109.386 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -72.21 -42.78 65.37 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.919 1.387 . . . . 58.72 110.377 -176.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.66 -45.36 83.25 Favored 'General case' 0 CA--C 1.569 1.697 0 CA-C-O 117.109 -1.424 . . . . 26.56 107.771 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.863 -1.935 . . . . 29.49 115.298 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.37 -44.0 96.03 Favored 'General case' 0 C--O 1.296 3.512 0 C-N-CA 116.938 -1.905 . . . . 86.67 114.578 174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.42 -40.44 91.03 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 119.172 -2.205 . . . . 37.87 114.473 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.24 -61.78 1.85 Allowed 'General case' 0 CA--C 1.595 2.678 0 CA-C-O 116.653 -1.641 . . . . 39.32 107.251 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -73.74 -37.91 64.91 Favored 'General case' 0 N--CA 1.511 2.582 0 N-CA-C 115.779 1.77 . . . . 37.26 115.779 -174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.38 -53.03 3.99 Favored Glycine 0 N--CA 1.409 -3.109 0 C-N-CA 126.296 1.903 . . . . 50.14 109.119 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -93.69 -6.48 46.15 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 119.077 2.991 . . . . 83.84 119.077 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.67 20.24 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 117.754 -1.117 . . . . 55.11 110.271 -171.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -106.59 93.12 4.41 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 124.576 1.172 . . . . 34.24 112.036 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.3 t -72.81 -42.23 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 C-N-CA 125.952 1.701 . . . . 33.92 106.952 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.9 tttm -53.88 -42.34 68.52 Favored 'General case' 0 C--O 1.277 2.542 0 C-N-CA 116.091 -2.243 . . . . 74.08 112.147 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.59 60.29 Favored Glycine 1 C--O 1.105 -7.956 0 N-CA-C 107.025 -2.43 . . . . 26.89 107.025 -173.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.2 -40.75 71.13 Favored 'General case' 0 C--O 1.285 2.935 0 O-C-N 118.566 -2.726 . . . . 31.12 116.306 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.23 -44.82 82.71 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 115.49 -2.195 . . . . 36.8 112.181 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.02 -41.71 71.69 Favored 'General case' 0 N--CA 1.407 -2.622 1 O-C-N 129.568 4.292 . . . . 55.15 110.541 -178.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.1 t -66.4 -48.83 79.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 CA-C-O 116.133 -1.889 . . . . 28.85 113.407 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.99 -27.3 57.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 120.822 1.646 . . . . 32.61 111.281 -172.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.416 ' N ' ' HD2' ' B' 1043 ' ' PRO . 41.0 tt0 -63.24 -40.29 58.94 Favored Pre-proline 0 N--CA 1.506 2.371 0 CA-C-N 121.223 1.829 . . . . 77.99 115.841 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -72.2 -27.09 17.09 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 123.915 3.077 . . . . 37.5 110.636 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.0 mt -69.07 -46.77 66.99 Favored 'General case' 0 C--O 1.288 3.088 0 C-N-CA 113.905 -3.118 . . . . 38.03 111.585 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.73 -38.7 86.01 Favored 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 117.196 -1.802 . . . . 28.46 112.033 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.86 -36.36 84.11 Favored 'General case' 1 N--CA 1.543 4.204 0 CA-C-O 115.051 -2.404 . . . . 33.73 108.37 -175.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.943 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.395 13.2 ttp -61.9 -42.97 99.7 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 114.509 -2.876 . . . . 83.57 115.859 169.253 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.02 -44.62 78.91 Favored 'General case' 0 C--O 1.219 -0.507 1 O-C-N 115.997 -4.189 . . . . 45.57 109.499 172.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -52.74 -40.22 62.87 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 124.811 1.319 . . . . 75.24 112.953 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.501 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.93 -32.77 74.64 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 115.137 -2.363 . . . . 91.25 111.082 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.67 152.3 12.09 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 121.84 2.109 . . . . 53.21 112.614 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -70.79 141.47 41.11 Favored 'Trans proline' 0 N--CA 1.42 -2.845 0 C-N-CA 123.443 2.762 . . . . 40.63 111.891 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -122.63 0.98 9.42 Favored 'General case' 1 C--O 1.14 -4.675 0 O-C-N 117.99 -2.944 . . . . 76.62 115.388 174.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.5 p -126.19 163.17 23.73 Favored 'General case' 0 C--O 1.285 2.933 0 O-C-N 120.112 -1.618 . . . . 36.06 111.468 170.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.71 -45.23 86.02 Favored 'General case' 0 N--CA 1.519 2.992 0 O-C-N 119.853 -1.779 . . . . 38.7 109.073 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.4 mttp -64.08 -32.08 73.51 Favored 'General case' 0 C--O 1.303 3.878 0 C-N-CA 127.176 2.19 . . . . 50.36 110.975 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.72 -38.71 67.38 Favored 'General case' 0 C--N 1.282 -2.346 0 CA-C-O 124.961 2.315 . . . . 33.39 107.362 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.45 -41.15 80.68 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 113.196 -1.82 . . . . 39.1 109.263 -174.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.8 p -73.42 -34.92 65.7 Favored 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 115.064 -2.654 . . . . 32.16 106.431 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.449 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.3 t80 -61.49 -43.71 98.38 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 120.454 1.479 . . . . 31.86 109.636 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.07 -42.13 94.44 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 119.619 -0.833 . . . . 38.09 111.793 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.27 71.72 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 115.499 1.666 . . . . 28.08 115.499 171.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.12 34.61 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 127.623 3.077 . . . . 28.68 113.139 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -117.49 1.35 12.3 Favored 'General case' 0 C--O 1.279 2.628 0 CA-C-O 112.467 -3.635 . . . . 42.11 111.993 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.22 -50.46 50.92 Favored Glycine 1 C--O 1.167 -4.032 0 CA-C-N 122.013 2.188 . . . . 31.31 108.622 -167.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -45.21 94.15 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 117.667 -1.613 . . . . 88.51 112.214 -177.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.654 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.72 -43.94 90.29 Favored 'General case' 0 C--O 1.27 2.178 0 O-C-N 120.582 -1.324 . . . . 40.94 110.633 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 68.3 mt -67.92 -37.32 81.53 Favored 'General case' 0 C--O 1.268 2.072 0 C-N-CA 116.752 -1.979 . . . . 25.06 111.055 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . . . . . . . . . 3.9 mtp -61.89 -46.09 90.93 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 120.859 -1.151 . . . . 63.84 109.184 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -58.44 -41.61 85.45 Favored 'General case' 0 C--O 1.263 1.798 0 CA-C-O 117.578 -1.201 . . . . 46.34 113.278 173.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.43 94.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.033 1.288 . . . . 30.52 108.187 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.24 -38.48 76.96 Favored 'General case' 0 C--N 1.375 1.705 0 CA-C-O 115.297 -2.287 . . . . 46.04 114.908 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.71 -41.88 99.37 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 122.862 2.574 . . . . 79.1 110.022 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.9 m95 -59.41 -46.33 88.99 Favored 'General case' 0 C--O 1.264 1.842 0 C-N-CA 118.302 -1.359 . . . . 45.28 111.79 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.6 m -56.54 -45.55 81.1 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 113.572 -3.251 . . . . 37.28 111.045 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -62.02 -32.52 73.01 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 120.066 -1.647 . . . . 45.73 109.188 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.8 -41.95 96.64 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 124.515 2.102 . . . . 72.23 113.741 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.31 -39.58 91.03 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 113.385 -1.734 . . . . 34.96 113.812 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.558 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.3 mtt -55.59 -41.97 74.13 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 127.398 2.936 . . . . 46.8 108.053 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.9 mttt -89.24 -39.76 13.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.665 -0.865 . . . . 70.07 108.665 -173.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 26.0 p -76.42 -34.43 58.79 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 116.846 -3.659 . . . . 41.74 115.453 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.55 15.11 75.22 Favored Glycine 0 N--CA 1.494 2.562 2 O-C-N 114.177 -5.327 . . . . 28.2 111.118 -169.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.62 110.52 22.61 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 112.887 -3.435 . . . . 61.4 109.647 -176.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.29 -26.49 9.0 Favored 'Isoleucine or valine' 1 C--O 1.317 4.643 0 CA-C-N 124.147 3.158 . . . . 42.78 115.239 -179.061 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.554 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.94 -31.46 66.85 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 116.399 -3.938 . . . . 73.61 113.51 171.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.15 -36.81 77.81 Favored 'General case' 0 C--O 1.263 1.794 0 C-N-CA 115.32 -2.552 . . . . 40.58 109.77 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 60.2 tp -73.59 -27.76 61.48 Favored 'General case' 0 C--O 1.294 3.395 0 C-N-CA 118.21 -1.396 . . . . 43.18 111.663 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.554 HG21 ' NZ ' ' B' 1085 ' ' LYS . 24.2 p -64.3 -40.84 96.74 Favored 'General case' 1 N--CA 1.545 4.29 1 C-N-CA 110.014 -4.674 . . . . 44.02 105.635 178.917 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.301 11.5 mm100 -59.38 -33.59 71.38 Favored 'General case' 0 N--CA 1.521 3.107 1 CA-C-O 128.899 4.19 . . . . 58.1 109.862 -171.453 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.01 84.76 Favored 'General case' 0 N--CA 1.538 3.954 0 CA-C-N 108.467 -3.969 . . . . 24.53 110.981 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.4 m95 -71.97 -21.87 61.52 Favored 'General case' 0 C--N 1.414 3.371 0 CA-C-O 116.491 -1.719 . . . . 33.52 111.563 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.44 -40.34 81.19 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 121.174 1.806 . . . . 40.54 108.459 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 57.1 mt -73.23 -37.1 66.5 Favored 'General case' 0 C--O 1.28 2.673 0 CA-C-O 114.252 -2.785 . . . . 30.94 108.799 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -65.16 -39.73 93.35 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 126.92 2.637 . . . . 25.15 111.125 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.19 -41.08 77.63 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 116.213 -1.851 . . . . 27.38 106.419 -174.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.708 ' CD2' HH21 ' B' 1100 ' ' ARG 0.25 57.1 t60 -58.75 -46.71 86.84 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.75 -1.595 . . . . 51.51 107.915 179.15 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 76.7 t -54.35 -49.71 62.27 Favored 'Isoleucine or valine' 0 C--O 1.267 2.005 0 O-C-N 125.18 1.55 . . . . 24.78 113.091 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.63 -43.25 89.66 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 120.141 -1.6 . . . . 29.26 113.361 -175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.438 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.5 mtp85 -64.57 -42.38 95.68 Favored 'General case' 0 N--CA 1.405 -2.695 0 CA-C-O 111.739 -3.982 . . . . 39.22 109.409 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.708 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.73 -40.41 95.27 Favored 'General case' 0 N--CA 1.504 2.238 1 O-C-N 129.4 4.187 . . . . 86.15 110.033 -178.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . 0.4 HD13 HG21 ' B' 1101 ' ' ILE . 77.4 mt -64.69 -28.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 O-C-N 120.915 -1.115 . . . . 44.12 110.662 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.27 2.147 0 C-N-CA 124.518 1.127 . . . . 45.24 111.68 -172.194 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.247 0.928 0 N-CA-C 109.273 -1.531 . . . . 16.11 109.273 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.35 129.16 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 106.354 -1.721 . . . . 18.43 106.354 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.78 49.97 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.135 -1.802 . . . . 72.87 106.135 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.86 116.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 121.994 2.179 . . . . 16.89 105.236 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.04 125.78 53.95 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.518 -1.364 . . . . 39.66 108.735 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.86 128.77 37.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 121.815 2.098 . . . . 18.55 115.886 -175.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 78.1 mt -91.25 -43.48 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.255 -1.017 . . . . 15.34 108.255 169.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.08 135.36 11.91 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.793 -1.929 . . . . 42.67 105.793 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -69.45 145.08 57.77 Favored 'Trans proline' 0 N--CA 1.442 -1.528 0 C-N-CA 123.097 2.532 . . . . 20.98 114.673 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.88 -162.27 37.27 Favored Glycine 0 N--CA 1.439 -1.105 0 N-CA-C 108.922 -1.671 . . . . 24.91 108.922 171.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -78.3 -9.31 59.19 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 115.002 1.482 . . . . 28.85 115.002 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.59 15.63 66.55 Favored Glycine 0 CA--C 1.524 0.594 0 O-C-N 121.672 -0.642 . . . . 19.67 114.441 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -135.13 -42.56 0.72 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.448 1.624 . . . . 98.27 112.221 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.09 103.67 15.63 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 124.345 1.058 . . . . 20.68 112.321 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -113.37 148.46 39.66 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-O 115.634 -2.127 . . . . 22.03 108.436 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.561 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.5 Cg_exo -61.94 145.79 96.67 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.768 2.978 . . . . 27.68 111.286 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.853 -1.906 . . . . 88.66 105.853 170.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.39 132.72 44.76 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.194 -1.039 . . . . 99.06 108.194 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.62 -14.12 63.77 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 118.51 -1.161 . . . . 28.49 112.589 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -79.55 151.81 30.49 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 121.189 2.494 . . . . 35.54 109.759 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 93.4 m -83.86 120.46 26.1 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 125.349 1.656 . . . . 23.17 109.103 170.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.89 135.24 35.43 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 107.67 -1.233 . . . . 17.72 107.67 172.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.72 118.38 57.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 106.451 -1.685 . . . . 14.36 106.451 177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.33 157.55 42.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.701 -0.624 . . . . 11.27 112.216 -170.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -109.04 144.2 37.36 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.251 -1.018 . . . . 20.93 108.251 158.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.8 p90 -143.51 155.56 44.37 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.517 0.675 . . . . 14.55 112.402 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 67.3 m -129.16 132.21 47.28 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 104.156 -2.535 . . . . 14.19 104.156 166.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.03 16.98 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.443 -1.063 . . . . 15.91 110.443 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.42 157.3 43.75 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.957 0.884 . . . . 33.26 109.432 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.83 142.49 44.17 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 117.186 -1.387 . . . . 36.95 107.321 173.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.54 120.1 6.69 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 120.707 1.594 . . . . 72.56 109.474 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.32 45.52 23.52 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 124.479 2.085 . . . . 71.74 115.692 -172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.12 -155.56 6.78 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 111.731 -2.486 . . . . 48.7 110.983 -175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.65 135.68 43.78 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 110.943 -2.629 . . . . 83.47 110.714 -168.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.8 129.53 40.19 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 108.349 -0.982 . . . . 73.09 108.349 160.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -113.84 -18.17 11.87 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.505 -0.759 . . . . 20.97 111.089 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.21 151.52 15.74 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 121.721 2.055 . . . . 22.26 113.321 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.417 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.4 t -156.43 128.72 7.53 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 106.594 -1.632 . . . . 23.31 106.594 174.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.5 p -73.23 -19.84 60.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 120.202 -0.599 . . . . 19.07 111.24 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.73 -41.41 95.97 Favored 'General case' 0 C--O 1.223 -0.29 0 O-C-N 120.717 -1.24 . . . . 50.14 110.929 -177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -51.8 -41.41 61.67 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 124.238 1.971 . . . . 77.19 112.355 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.22 -7.79 59.63 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 111.408 -2.633 . . . . 68.77 112.636 -174.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 60.05 13.45 3.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.878 0.871 . . . . 92.53 111.441 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -125.16 129.27 24.56 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 120.326 -1.484 . . . . 86.18 108.151 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -75.11 152.54 40.39 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.676 2.917 . . . . 32.99 107.77 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.05 140.66 29.69 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.114 -2.312 . . . . 21.39 106.291 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.426 ' HB2' HH22 ' B' 1099 ' ' ARG . 89.8 mttt -127.22 141.38 51.75 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 106.513 -1.662 . . . . 31.31 106.513 178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -148.66 158.82 44.4 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.0 -1.0 . . . . 24.29 108.465 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.01 44.48 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 122.394 1.092 . . . . 52.57 108.43 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.4 tp -69.41 136.98 52.37 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 114.027 -1.442 . . . . 23.88 108.532 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.7 83.08 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-O 117.749 -1.584 . . . . 41.17 114.774 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.1 9.84 34.14 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 121.317 2.558 . . . . 79.21 115.105 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 51.65 34.5 12.85 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 116.83 2.159 . . . . 66.86 116.83 -171.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.17 -29.6 61.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.703 -1.248 . . . . 26.18 112.489 173.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.45 167.53 18.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.716 0.769 . . . . 13.3 110.536 -174.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.3 pt -57.5 153.7 2.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 122.02 0.914 . . . . 11.35 112.68 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.35 -38.64 74.47 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.35 1.611 . . . . 64.64 115.35 -173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -60.97 -31.55 76.8 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-O 118.841 -0.977 . . . . 12.57 113.884 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.76 -43.18 47.86 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 118.227 -0.892 . . . . 14.82 108.706 174.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.99 -45.69 82.79 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 119.612 1.096 . . . . 44.5 112.043 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.9 -34.1 39.33 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 114.195 1.183 . . . . 52.63 114.195 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.82 -53.13 21.06 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.566 -0.613 . . . . 14.21 111.566 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.2 t -67.55 -33.15 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.421 0.526 . . . . 13.3 112.421 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.94 44.9 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 116.177 1.917 . . . . 11.35 116.177 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -99.39 13.34 33.56 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 120.358 -1.464 . . . . 18.89 111.73 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.7 mtp -102.49 146.95 27.36 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.418 -1.327 . . . . 14.13 107.418 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.4 p -101.49 163.22 12.38 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 119.586 -0.846 . . . . 15.47 112.4 172.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.6 t -58.81 130.65 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 118.505 0.593 . . . . 22.97 109.87 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.8 -14.69 61.53 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.528 1.142 . . . . 16.68 113.144 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.96 144.45 45.24 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 121.856 -0.79 . . . . 16.0 109.447 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -118.19 130.7 56.24 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 105.983 -1.858 . . . . 19.71 105.983 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.99 151.78 44.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 122.344 1.068 . . . . 11.91 113.601 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.32 121.97 35.25 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.185 -2.524 . . . . 40.73 104.185 171.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.68 119.86 39.99 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 117.959 -1.019 . . . . 26.74 108.451 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.3 m -104.19 123.91 48.16 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 121.42 1.918 . . . . 13.86 107.416 172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.16 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-O 123.503 1.62 . . . . 11.09 107.431 -167.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 55.1 p -73.65 158.43 86.28 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 117.023 -1.465 . . . . 15.98 108.404 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.17 -36.47 99.13 Favored 'Trans proline' 0 CA--C 1.504 -1.014 0 C-N-CA 125.009 3.806 . . . . 16.36 112.67 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -68.09 -15.17 63.48 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.189 1.181 . . . . 25.87 114.189 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.14 7.12 38.76 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 121.357 -0.839 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.58 -117.62 0.22 Allowed 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 105.505 -2.035 . . . . 14.63 105.505 -174.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.44 2.6 26.5 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 117.028 -3.545 . . . . 14.49 114.838 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.46 -146.8 50.61 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 115.305 0.882 . . . . 13.72 115.305 165.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.41 -10.78 59.74 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 118.533 -1.267 . . . . 19.9 112.017 -172.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.0 -33.36 13.46 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 119.86 -1.775 . . . . 46.16 111.97 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.94 -169.6 54.65 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 108.67 -1.772 . . . . 15.03 108.67 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.477 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.61 110.24 37.34 Favored Pre-proline 0 N--CA 1.437 -1.082 0 N-CA-C 103.81 -2.663 . . . . 16.17 103.81 178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.2 Cg_endo -47.93 127.01 13.92 Favored 'Trans proline' 0 CA--C 1.515 -0.461 0 C-N-CA 124.763 3.642 . . . . 47.23 114.865 -170.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.12 -20.68 28.13 Favored Glycine 0 N--CA 1.438 -1.197 0 CA-C-N 114.163 -1.38 . . . . 25.36 112.718 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.2 mt -125.74 -56.86 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 120.784 2.292 . . . . 20.7 109.089 -167.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.4 mm -112.55 124.54 31.68 Favored Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 119.154 -2.216 . . . . 20.63 105.536 -170.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.6 Cg_exo -69.81 162.95 40.12 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 124.632 3.555 . . . . 23.63 112.25 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.26 142.69 55.74 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.816 3.01 . . . . 17.49 110.252 168.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.02 37.27 21.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 112.803 -1.998 . . . . 28.26 112.18 172.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.59 35.59 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 120.124 1.329 . . . . 16.1 112.64 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.8 m -82.05 132.98 35.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 107.893 -1.151 . . . . 15.74 107.893 167.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 52.3 mt -113.88 139.99 48.72 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 107.742 -1.207 . . . . 14.61 107.742 -174.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.2 75.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 122.105 0.955 . . . . 14.46 109.072 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -117.75 139.96 50.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.87 -1.059 . . . . 14.6 110.951 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 25.1 t0 -98.17 116.8 31.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 105.705 -1.961 . . . . 15.34 105.705 166.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.1 130.83 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 120.476 1.489 . . . . 15.13 107.694 -172.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -117.83 118.19 31.36 Favored 'General case' 0 C--O 1.243 0.723 0 N-CA-C 108.194 -1.039 . . . . 35.49 108.194 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.2 tp -86.23 102.8 14.26 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 123.153 1.454 . . . . 17.35 108.267 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.5 -45.99 42.32 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.265 -1.788 . . . . 26.84 114.841 -176.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.62 153.87 6.37 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.03 -1.471 . . . . 74.94 107.03 -163.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.2 mt -115.15 140.43 49.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.039 -1.467 . . . . 28.26 107.039 172.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 108.208 -1.034 . . . . 62.18 108.208 171.454 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.556 4.856 0 CA-C-O 124.87 2.271 . . . . 73.77 115.664 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.45 113.54 20.93 Favored 'General case' 0 C--N 1.282 -2.347 0 N-CA-C 102.371 -3.196 . . . . 35.3 102.371 -172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -152.05 141.26 14.92 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 1 C-N-CA 109.958 -4.697 . . . . 39.45 109.895 173.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' 1012 ' ' LEU 0.265 25.2 mt -74.18 153.52 39.46 Favored 'General case' 0 C--O 1.256 1.427 0 C-N-CA 114.983 -2.687 . . . . 43.73 108.753 -172.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 16.0 m0 -66.44 -29.7 69.89 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 116.023 -1.941 . . . . 34.48 108.572 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.33 -47.27 69.46 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 130.641 3.576 . . . . 53.71 109.099 173.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -72.6 -40.64 66.37 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 119.744 -1.848 . . . . 63.11 109.779 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.408 50.7 ttm -71.1 -40.24 71.62 Favored 'General case' 1 N--CA 1.568 5.471 0 C-N-CA 112.161 -3.816 . . . . 48.7 103.335 -166.986 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 61.2 m95 -65.65 -37.13 85.66 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 115.378 1.621 . . . . 29.05 115.378 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -65.7 -46.71 77.97 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 106.93 -1.507 . . . . 35.1 106.93 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.295 7.6 tt0 -66.45 -41.53 88.97 Favored 'General case' 0 C--O 1.278 2.553 0 N-CA-C 114.225 1.195 . . . . 61.75 114.225 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.7 -44.17 95.28 Favored Glycine 0 C--O 1.179 -3.291 0 CA-C-O 116.404 -2.331 . . . . 29.17 112.516 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.94 -44.02 94.12 Favored 'General case' 0 C--O 1.285 2.928 0 O-C-N 125.307 1.239 . . . . 25.27 108.594 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -57.35 -47.57 81.25 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 128.673 2.789 . . . . 49.28 109.249 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.28 -42.74 65.21 Favored 'General case' 0 C--O 1.187 -2.185 0 O-C-N 124.883 1.364 . . . . 58.72 110.329 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.35 83.52 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.119 -1.42 . . . . 26.56 107.785 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.2 p -59.98 -35.93 76.05 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 116.846 -1.942 . . . . 29.49 115.313 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -63.41 -43.96 96.0 Favored 'General case' 0 C--O 1.297 3.592 0 C-N-CA 116.956 -1.897 . . . . 86.67 114.547 174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.39 -40.47 91.04 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 119.113 -2.242 . . . . 37.87 114.534 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.6 t80 -81.18 -61.88 1.82 Allowed 'General case' 0 CA--C 1.596 2.72 0 CA-C-O 116.699 -1.62 . . . . 39.32 107.238 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -73.74 -37.96 64.92 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 115.782 1.771 . . . . 37.26 115.782 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.33 -52.96 4.02 Favored Glycine 0 N--CA 1.409 -3.148 0 C-N-CA 126.224 1.869 . . . . 50.14 109.198 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.62 -6.66 45.99 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 118.994 2.961 . . . . 83.84 118.994 -174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.95 32.77 20.44 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 117.668 -1.158 . . . . 55.11 110.177 -171.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -106.68 93.18 4.44 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.608 1.193 . . . . 34.24 111.892 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 93.9 t -72.85 -42.12 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 C-N-CA 125.982 1.713 . . . . 33.92 106.968 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.702 ' O ' ' HG3' ' B' 1039 ' ' GLU . 33.8 tttm -53.97 -42.27 68.75 Favored 'General case' 0 C--O 1.278 2.571 0 C-N-CA 116.045 -2.262 . . . . 74.08 112.199 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.87 -42.61 60.3 Favored Glycine 1 C--O 1.103 -8.061 0 N-CA-C 107.043 -2.423 . . . . 26.89 107.043 -173.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.5 ttp -55.19 -40.79 71.15 Favored 'General case' 0 C--O 1.282 2.813 0 O-C-N 118.65 -2.676 . . . . 31.12 116.287 172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.26 -44.72 82.85 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 115.52 -2.181 . . . . 36.8 112.215 172.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.8 mt-10 -55.09 -41.68 71.88 Favored 'General case' 0 N--CA 1.408 -2.561 1 O-C-N 129.658 4.349 . . . . 55.15 110.503 -178.172 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 75.9 t -66.56 -48.68 79.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-O 116.119 -1.896 . . . . 28.85 113.406 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.12 -27.31 57.05 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.854 1.661 . . . . 32.61 111.155 -172.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.32 -40.34 58.85 Favored Pre-proline 0 N--CA 1.505 2.313 0 CA-C-N 121.305 1.866 . . . . 77.99 115.798 -173.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.6 Cg_endo -71.97 -27.23 17.66 Favored 'Trans proline' 0 N--CA 1.445 -1.357 0 C-N-CA 123.939 3.092 . . . . 37.5 110.583 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.712 ' CD2' ' HG2' ' B' 1016 ' ' MET . 62.4 mt -69.04 -46.85 66.86 Favored 'General case' 0 C--O 1.288 3.125 0 C-N-CA 114.04 -3.064 . . . . 38.03 111.557 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -60.7 -38.61 85.61 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 117.054 -1.858 . . . . 28.46 112.127 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.93 -36.23 83.72 Favored 'General case' 1 N--CA 1.543 4.216 0 CA-C-O 115.128 -2.368 . . . . 33.73 108.421 -175.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.939 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.393 13.2 ttp -61.98 -42.91 99.67 Favored 'General case' 0 C--O 1.268 2.071 0 C-N-CA 114.573 -2.851 . . . . 83.57 115.771 169.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.4 mmm -56.1 -44.63 79.24 Favored 'General case' 0 C--O 1.22 -0.481 1 O-C-N 115.994 -4.191 . . . . 45.57 109.404 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -52.71 -40.33 62.89 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 124.95 1.406 . . . . 75.24 112.884 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.499 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -64.95 -32.66 74.48 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 115.14 -2.362 . . . . 91.25 111.114 179.647 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.64 152.41 12.14 Favored Glycine 0 N--CA 1.463 0.438 0 CA-C-N 121.833 2.106 . . . . 53.21 112.548 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.05 141.56 40.29 Favored 'Trans proline' 0 N--CA 1.419 -2.875 0 C-N-CA 123.38 2.72 . . . . 40.63 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.64 0.99 9.42 Favored 'General case' 1 C--O 1.14 -4.698 0 O-C-N 117.957 -2.964 . . . . 76.62 115.377 174.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.7 p -126.17 163.08 23.92 Favored 'General case' 0 C--O 1.284 2.899 0 O-C-N 120.174 -1.579 . . . . 36.06 111.409 170.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.72 -45.22 86.07 Favored 'General case' 0 N--CA 1.517 2.918 0 O-C-N 119.722 -1.861 . . . . 38.7 109.106 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.05 -32.07 73.49 Favored 'General case' 0 C--O 1.304 3.938 0 C-N-CA 127.303 2.241 . . . . 50.36 110.938 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -72.81 -38.74 67.09 Favored 'General case' 0 C--N 1.281 -2.377 0 CA-C-O 125.048 2.356 . . . . 33.39 107.372 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.5 m -68.38 -41.09 81.04 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 113.153 -1.839 . . . . 39.1 109.452 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.7 p -73.43 -34.89 65.67 Favored 'General case' 0 N--CA 1.526 3.357 0 C-N-CA 115.006 -2.678 . . . . 32.16 106.46 -175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.447 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.0 t80 -61.4 -43.81 98.23 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.494 1.497 . . . . 31.86 109.629 174.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.13 94.64 Favored 'General case' 0 C--O 1.256 1.437 0 C-N-CA 119.639 -0.824 . . . . 38.09 111.82 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -54.27 -44.25 71.7 Favored 'General case' 0 CA--C 1.6 2.9 0 N-CA-C 115.528 1.677 . . . . 28.08 115.528 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.05 34.52 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 127.723 3.14 . . . . 28.68 113.119 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -117.46 1.3 12.32 Favored 'General case' 0 C--O 1.28 2.669 0 CA-C-O 112.558 -3.591 . . . . 42.11 112.087 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.25 -50.55 50.14 Favored Glycine 0 C--O 1.169 -3.962 0 CA-C-N 121.955 2.162 . . . . 31.31 108.515 -167.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -45.3 93.54 Favored 'General case' 0 C--O 1.256 1.442 0 C-N-CA 117.711 -1.595 . . . . 88.51 112.277 -177.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.656 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 91.9 m-20 -58.71 -43.79 90.2 Favored 'General case' 0 C--O 1.271 2.223 0 O-C-N 120.535 -1.353 . . . . 40.94 110.642 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.07 -37.27 81.06 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 116.748 -1.981 . . . . 25.06 110.985 -176.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.81 -46.09 91.02 Favored 'General case' 0 CA--C 1.558 1.272 0 O-C-N 120.812 -1.18 . . . . 63.84 109.225 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -58.52 -41.6 85.83 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 117.621 -1.181 . . . . 46.34 113.248 173.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.5 94.26 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 120.039 1.29 . . . . 30.52 108.198 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.26 -38.48 77.01 Favored 'General case' 0 C--N 1.377 1.763 0 CA-C-O 115.407 -2.235 . . . . 46.04 114.937 172.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 122.86 2.573 . . . . 79.1 110.179 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 94.0 m95 -59.34 -46.35 88.85 Favored 'General case' 0 C--O 1.265 1.875 0 C-N-CA 118.261 -1.375 . . . . 45.28 111.845 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.551 ' O ' ' HG3' ' B' 1079 ' ' MET . 49.6 m -56.57 -45.61 81.23 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 113.678 -3.209 . . . . 37.28 111.038 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -61.97 -32.42 72.86 Favored 'General case' 0 C--O 1.27 2.137 0 O-C-N 120.03 -1.669 . . . . 45.73 109.267 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 68.0 mttt -60.93 -41.89 97.09 Favored 'General case' 0 C--O 1.258 1.539 0 CA-C-O 124.495 2.093 . . . . 72.23 113.734 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.22 -39.62 90.93 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 113.373 -1.74 . . . . 34.96 113.889 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.551 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.73 -41.77 74.39 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 127.491 2.995 . . . . 46.8 108.076 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.8 mttt -89.34 -39.8 13.2 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.625 -0.88 . . . . 70.07 108.625 -174.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.7 p -76.44 -34.49 58.76 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 116.901 -3.624 . . . . 41.74 115.379 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.65 15.07 75.45 Favored Glycine 0 N--CA 1.493 2.449 2 O-C-N 114.172 -5.33 . . . . 28.2 111.102 -169.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.63 110.54 22.65 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 112.922 -3.418 . . . . 61.4 109.684 -176.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.285 7.2 p -52.26 -26.49 8.91 Favored 'Isoleucine or valine' 1 C--O 1.317 4.637 0 CA-C-N 124.161 3.164 . . . . 42.78 115.248 -179.021 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.557 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -58.11 -31.22 66.94 Favored 'General case' 0 N--CA 1.425 -1.699 0 O-C-N 116.404 -3.935 . . . . 73.61 113.562 171.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -69.29 -36.81 77.43 Favored 'General case' 0 C--O 1.265 1.906 0 C-N-CA 115.254 -2.579 . . . . 40.58 109.767 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.39 -27.87 61.7 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 118.339 -1.344 . . . . 43.18 111.68 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.557 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.43 -40.78 96.41 Favored 'General case' 1 N--CA 1.546 4.333 1 C-N-CA 110.05 -4.66 . . . . 44.02 105.504 179.038 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.305 11.5 mm100 -59.49 -33.46 71.37 Favored 'General case' 0 N--CA 1.521 3.101 1 CA-C-O 128.907 4.194 . . . . 58.1 109.867 -171.414 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.26 -36.81 83.95 Favored 'General case' 0 N--CA 1.538 3.964 0 CA-C-N 108.422 -3.99 . . . . 24.53 110.925 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.3 m95 -72.07 -21.82 61.46 Favored 'General case' 0 C--N 1.414 3.408 0 CA-C-O 116.524 -1.703 . . . . 33.52 111.59 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.42 -40.29 81.28 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 121.11 1.777 . . . . 40.54 108.545 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.27 -37.1 66.4 Favored 'General case' 0 C--O 1.279 2.637 0 CA-C-O 114.157 -2.83 . . . . 30.94 108.827 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -65.17 -39.7 93.27 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 127.096 2.747 . . . . 25.15 111.226 177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.9 t80 -69.1 -41.12 77.87 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 116.262 -1.828 . . . . 27.38 106.426 -174.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.701 ' CD2' HH21 ' B' 1100 ' ' ARG 0.252 57.0 t60 -58.81 -46.64 87.15 Favored 'General case' 0 N--CA 1.513 2.678 0 CA-C-O 116.626 -1.654 . . . . 51.51 107.888 179.211 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 77.4 t -54.28 -49.81 60.82 Favored 'Isoleucine or valine' 0 C--O 1.265 1.913 0 O-C-N 125.266 1.604 . . . . 24.78 113.103 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.62 -43.18 89.58 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.206 -1.559 . . . . 29.26 113.422 -175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.426 HH22 ' HB2' ' A' ' 948' ' ' LYS . 37.2 mtp85 -64.71 -42.3 95.36 Favored 'General case' 0 N--CA 1.406 -2.651 1 CA-C-O 111.691 -4.004 . . . . 39.22 109.365 176.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.701 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.0 mtm180 -64.77 -40.34 95.1 Favored 'General case' 0 N--CA 1.504 2.266 1 O-C-N 129.4 4.187 . . . . 86.15 109.983 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . 0.408 HD13 HG21 ' B' 1101 ' ' ILE . 77.0 mt -64.62 -28.8 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 120.975 -1.078 . . . . 44.12 110.725 177.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.268 2.059 0 O-C-N 120.903 -1.123 . . . . 45.24 111.666 -172.248 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' GLY . . . . . 0.692 ' N ' ' HG ' ' A' ' 978' ' ' SER . . . . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.255 -1.538 . . . . 16.11 109.255 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.33 129.15 59.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.322 -1.732 . . . . 18.43 106.322 177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -104.06 132.75 49.99 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.126 -1.805 . . . . 72.87 106.126 176.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 80.6 t -113.78 116.35 52.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 121.993 2.179 . . . . 16.89 105.252 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -115.16 125.75 53.8 Favored 'General case' 0 C--N 1.318 -0.779 0 O-C-N 120.565 -1.334 . . . . 39.66 108.739 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' THR . . . . . . . . . . . . . 54.6 m -70.88 128.84 37.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 121.789 2.086 . . . . 18.55 115.897 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 77.8 mt -91.27 -43.4 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.31 -0.996 . . . . 15.34 108.31 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' SER . . . . . . . . . . . . . 1.4 m -145.15 135.37 11.88 Favored Pre-proline 0 C--O 1.239 0.548 0 N-CA-C 105.829 -1.915 . . . . 42.67 105.829 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -69.47 145.14 57.89 Favored 'Trans proline' 0 N--CA 1.442 -1.515 0 C-N-CA 123.106 2.538 . . . . 20.98 114.62 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' GLY . . . . . . . . . . . . . . . -86.93 -162.24 37.3 Favored Glycine 0 N--CA 1.44 -1.079 0 N-CA-C 108.876 -1.69 . . . . 24.91 108.876 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -78.35 -9.24 59.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 114.985 1.476 . . . . 28.85 114.985 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' GLY . . . . . . . . . . . . . . . 67.58 15.62 66.52 Favored Glycine 0 CA--C 1.524 0.638 0 O-C-N 121.673 -0.642 . . . . 19.67 114.405 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.15 -42.58 0.72 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 119.444 1.622 . . . . 98.27 112.211 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' THR . . . . . . . . . . . . . 7.3 m -98.1 103.64 15.6 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.34 1.056 . . . . 20.68 112.319 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.32 148.48 39.66 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-O 115.621 -2.133 . . . . 22.03 108.434 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' PRO . . . . . 0.56 ' HB2' HD22 ' A' ' 951' ' ' LEU . 23.4 Cg_exo -61.97 145.83 96.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.722 2.948 . . . . 27.68 111.26 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -104.95 153.16 21.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 105.832 -1.914 . . . . 88.66 105.832 170.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -54.41 132.73 44.87 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.172 -1.047 . . . . 99.06 108.172 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' GLY . . . . . . . . . . . . . . . 90.6 -14.15 63.66 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-O 118.466 -1.186 . . . . 28.49 112.565 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.49 151.79 30.6 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 121.202 2.501 . . . . 35.54 109.777 175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' THR . . . . . . . . . . . . . 92.9 m -83.86 120.49 26.13 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 125.318 1.636 . . . . 23.17 109.1 170.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' CYS . . . . . . . . . . . . . 61.1 m -93.85 135.21 35.4 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 107.698 -1.223 . . . . 17.72 107.698 172.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.72 118.44 57.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 106.429 -1.693 . . . . 14.36 106.429 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' VAL . . . . . . . . . . . . . 27.6 m -133.39 157.48 42.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 O-C-N 121.63 -0.669 . . . . 11.27 112.166 -170.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -109.02 144.22 37.3 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 108.256 -1.016 . . . . 20.93 108.256 158.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' A' 1001 ' ' ASP . 30.6 p90 -143.54 155.56 44.35 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.524 0.678 . . . . 14.55 112.411 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' THR . . . . . . . . . . . . . 66.2 m -129.16 132.19 47.28 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 104.123 -2.547 . . . . 14.19 104.123 166.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' GLY . . . . . . . . . . . . . . . -117.5 142.07 16.99 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.431 -1.067 . . . . 15.91 110.431 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' MET . . . . . . . . . . . . . 6.7 ptm -146.45 157.34 43.75 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.964 0.888 . . . . 33.26 109.407 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.9 142.59 44.04 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 107.265 -1.383 . . . . 36.95 107.265 173.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -55.61 120.09 6.7 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 120.669 1.577 . . . . 72.56 109.481 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 49.29 45.5 23.48 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 124.49 2.09 . . . . 71.74 115.73 -172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -149.1 -155.55 6.78 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 111.697 -2.501 . . . . 48.7 110.963 -175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -73.63 135.69 43.83 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 110.905 -2.647 . . . . 83.47 110.741 -168.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 939' ' ' SER . 28.1 tttm -66.83 129.47 39.98 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 108.339 -0.986 . . . . 73.09 108.339 160.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -113.8 -18.19 11.88 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.503 -0.761 . . . . 20.97 111.068 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -162.2 151.53 15.79 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 121.693 2.042 . . . . 22.26 113.382 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 936' ' ' LYS . 42.5 t -156.43 128.67 7.51 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.584 -1.635 . . . . 23.31 106.584 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 86.6 p -73.17 -19.93 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.208 -0.597 . . . . 19.07 111.278 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -64.59 -41.44 96.24 Favored 'General case' 0 C--O 1.223 -0.293 0 O-C-N 120.708 -1.245 . . . . 50.14 110.963 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -51.8 -41.41 61.69 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 124.21 1.957 . . . . 77.19 112.368 174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -81.2 -7.85 59.64 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 111.414 -2.63 . . . . 68.77 112.608 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 60.02 13.54 3.8 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.84 0.856 . . . . 92.53 111.447 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 946' ' ' PRO . 81.6 tttt -125.2 129.31 24.54 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.338 -1.476 . . . . 86.18 108.129 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 945' ' ' LYS . 32.5 Cg_exo -75.1 152.57 40.47 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 123.666 2.911 . . . . 32.99 107.791 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -95.04 140.65 29.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 112.092 -2.322 . . . . 21.39 106.295 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' LYS . . . . . 0.548 ' O ' ' NH2' ' B' 1099 ' ' ARG . 89.8 mttt -127.15 141.38 51.77 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 106.533 -1.654 . . . . 31.31 106.533 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -148.65 158.81 44.39 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.015 -0.993 . . . . 24.29 108.499 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' MET . . . . . . . . . . . . . 30.4 ttm -99.66 124.04 44.5 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 122.395 1.093 . . . . 52.57 108.406 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 917' ' ' PRO . 16.5 tp -69.43 136.95 52.28 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.077 -1.42 . . . . 23.88 108.497 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' GLY . . . . . . . . . . . . . . . 90.03 -5.74 83.02 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-O 117.641 -1.644 . . . . 41.17 114.763 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' LYS . . . . . 0.469 ' HB2' ' HG3' ' A' ' 955' ' ' GLU . 20.3 mmmt -93.15 9.9 34.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.35 2.575 . . . . 79.21 115.082 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 51.63 34.53 12.85 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 116.786 2.143 . . . . 66.86 116.786 -171.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 953' ' ' LYS . 96.0 mt-10 -74.18 -29.61 61.84 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 120.789 -1.194 . . . . 26.18 112.47 173.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.41 167.51 18.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.719 0.771 . . . . 13.3 110.484 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' ILE . . . . . . . . . . . . . 41.2 pt -57.53 153.67 2.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-O 121.997 0.903 . . . . 11.35 112.635 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -57.34 -38.61 74.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 115.351 1.612 . . . . 64.64 115.351 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' GLY . . . . . . . . . . . . . . . -61.02 -31.55 77.01 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-O 118.838 -0.979 . . . . 12.57 113.851 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -75.69 -43.21 48.47 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-O 118.279 -0.867 . . . . 14.82 108.734 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.94 -45.78 82.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.548 1.067 . . . . 44.5 112.016 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -79.92 -34.01 39.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 114.182 1.179 . . . . 52.63 114.182 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.2 20.7 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.54 -0.624 . . . . 14.21 111.54 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' VAL . . . . . . . . . . . . . 93.5 t -67.53 -33.18 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 112.436 0.532 . . . . 13.3 112.436 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' ALA . . . . . . . . . . . . . . . -56.19 -24.92 44.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.164 1.912 . . . . 11.35 116.164 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -99.37 13.33 33.58 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 120.409 -1.432 . . . . 18.89 111.733 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' MET . . . . . . . . . . . . . 95.8 mtp -102.46 146.94 27.36 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 107.417 -1.327 . . . . 14.13 107.417 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' SER . . . . . . . . . . . . . 65.1 p -101.49 163.19 12.39 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 119.58 -0.848 . . . . 15.47 112.41 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.77 130.62 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 118.493 0.588 . . . . 22.97 109.894 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' GLY . . . . . . . . . . . . . . . 98.86 -14.74 61.44 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.468 1.105 . . . . 16.68 113.143 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.89 144.39 45.39 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 121.765 -0.844 . . . . 16.0 109.462 -174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -118.19 130.65 56.21 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 105.965 -1.865 . . . . 19.71 105.965 168.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' ALA . . . . . . . . . . . . . . . -140.95 151.78 44.45 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 122.323 1.059 . . . . 11.91 113.59 -176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -93.23 121.91 35.08 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 104.25 -2.5 . . . . 40.73 104.25 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' LEU . . . . . . . . . . . . . 11.3 mp -104.67 119.85 39.97 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 117.996 -1.002 . . . . 26.74 108.482 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' THR . . . . . . . . . . . . . 37.0 m -104.22 123.92 48.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 121.416 1.916 . . . . 13.86 107.435 172.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 79.9 mt -123.61 125.19 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-O 123.564 1.649 . . . . 11.09 107.394 -167.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' SER . . . . . 0.692 ' HG ' ' N ' ' A' ' 902' ' ' GLY . 54.9 p -73.64 158.39 86.35 Favored Pre-proline 0 CA--C 1.515 -0.376 0 CA-C-O 116.986 -1.483 . . . . 15.98 108.445 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -57.19 -36.35 99.07 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 C-N-CA 124.995 3.797 . . . . 16.36 112.731 -175.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -68.17 -15.16 63.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 114.214 1.19 . . . . 25.87 114.214 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.11 7.07 38.84 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.393 -0.817 . . . . 40.19 111.18 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -131.56 -117.63 0.22 Allowed 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.506 -2.035 . . . . 14.63 105.506 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -106.43 2.63 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 117.017 -3.552 . . . . 14.49 114.876 -174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' GLY . . . . . . . . . . . . . . . 64.47 -146.83 50.63 Favored Glycine 0 C--N 1.338 0.666 0 N-CA-C 115.331 0.892 . . . . 13.72 115.331 165.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -80.35 -10.89 59.75 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 118.565 -1.254 . . . . 19.9 112.048 -172.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.93 -33.32 13.52 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 119.881 -1.762 . . . . 46.16 112.051 -178.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' GLY . . . . . . . . . . . . . . . 77.93 -169.58 54.65 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 108.68 -1.768 . . . . 15.03 108.68 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' HIS . . . . . 0.476 ' CD2' HD12 ' A' ' 991' ' ' ILE . 86.0 t60 -119.58 110.33 37.3 Favored Pre-proline 0 N--CA 1.438 -1.05 0 N-CA-C 103.754 -2.684 . . . . 16.17 103.754 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 988' ' ' HIS . 34.7 Cg_endo -47.99 127.03 14.09 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 C-N-CA 124.7 3.6 . . . . 47.23 114.881 -170.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' GLY . . . . . . . . . . . . . . . 88.11 -20.61 28.47 Favored Glycine 0 N--CA 1.437 -1.263 0 CA-C-N 114.143 -1.389 . . . . 25.36 112.739 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' ILE . . . . . 0.476 HD12 ' CD2' ' A' ' 988' ' ' HIS . 53.3 mt -125.82 -56.84 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 120.787 2.293 . . . . 20.7 109.042 -167.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 993' ' ' PRO . 49.5 mm -112.62 124.52 31.69 Favored Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 119.227 -2.171 . . . . 20.63 105.503 -170.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 992' ' ' ILE . 3.3 Cg_exo -69.72 162.93 40.14 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.586 3.524 . . . . 23.63 112.341 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -53.19 142.68 54.94 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.824 3.016 . . . . 17.49 110.26 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 60.03 37.31 21.26 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 112.817 -1.992 . . . . 28.26 112.115 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' ALA . . . . . . . . . . . . . . . -92.02 133.57 35.6 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 120.173 1.352 . . . . 16.1 112.631 175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' THR . . . . . . . . . . . . . 98.2 m -82.11 133.0 35.25 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.871 -1.159 . . . . 15.74 107.871 167.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.85 139.99 48.7 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.753 -1.203 . . . . 14.61 107.753 -174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.59 128.24 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 CA-C-O 122.149 0.976 . . . . 14.46 109.051 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -117.73 140.0 50.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.911 -1.041 . . . . 14.6 110.969 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 927' ' ' TYR . 24.9 t0 -98.26 116.81 31.26 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 105.708 -1.96 . . . . 15.34 105.708 166.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' VAL . . . . . . . . . . . . . 60.2 t -127.09 130.87 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 120.453 1.479 . . . . 15.13 107.679 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -117.91 118.19 31.32 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 108.153 -1.054 . . . . 35.49 108.153 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' LEU . . . . . . . . . . . . . 36.4 tp -86.22 102.77 14.23 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.089 1.423 . . . . 17.35 108.282 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.46 -45.95 42.91 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.287 -1.779 . . . . 26.84 114.903 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -168.65 153.93 6.37 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.994 -1.484 . . . . 74.94 106.994 -163.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' LEU . . . . . . . . . . . . . 93.1 mt -115.22 140.43 49.1 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.029 -1.471 . . . . 28.26 107.029 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 108.21 -1.033 . . . . 62.18 108.21 171.455 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1009 ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 1 N--CA 1.555 4.785 0 CA-C-O 124.902 2.287 . . . . 73.77 115.627 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1010 ' ' ALA . . . . . . . . . . . . . . . -119.49 113.45 20.77 Favored 'General case' 0 C--N 1.282 -2.361 0 N-CA-C 102.439 -3.171 . . . . 35.3 102.439 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1011 ' ' ILE . . . . . 0.404 HD13 HG21 ' B' 1011 ' ' ILE . 15.9 tt -151.99 141.26 14.98 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 1 C-N-CA 109.912 -4.715 . . . . 39.45 109.924 173.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' 1012 ' ' LEU 0.266 25.2 mt -74.18 153.57 39.43 Favored 'General case' 0 C--O 1.258 1.521 0 C-N-CA 114.977 -2.689 . . . . 43.73 108.724 -172.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1013 ' ' TRP . . . . . . . . . . . . . 15.8 m0 -66.41 -29.77 70.0 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 116.012 -1.947 . . . . 34.48 108.596 -176.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1014 ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' B' 1060 ' ' PHE . 0.9 OUTLIER -53.36 -47.17 69.64 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 130.575 3.55 . . . . 53.71 109.171 173.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1015 ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -72.57 -40.61 66.49 Favored 'General case' 0 C--N 1.377 1.767 0 O-C-N 119.802 -1.811 . . . . 63.11 109.861 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1016 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1047 ' ' MET 0.41 50.5 ttm -71.18 -40.23 71.35 Favored 'General case' 1 N--CA 1.569 5.496 0 C-N-CA 112.109 -3.836 . . . . 48.7 103.254 -166.925 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B 1017 ' ' TRP . . . . . . . . . . . . . 60.7 m95 -65.67 -37.14 85.66 Favored 'General case' 0 C--N 1.373 1.602 0 N-CA-C 115.315 1.598 . . . . 29.05 115.315 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1018 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -65.66 -46.57 78.61 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 106.968 -1.493 . . . . 35.1 106.968 -176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1019 ' ' GLU . . . . . . . . . . . . 0.297 7.6 tt0 -66.56 -41.5 88.54 Favored 'General case' 0 C--O 1.278 2.588 0 N-CA-C 114.244 1.202 . . . . 61.75 114.244 178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1020 ' ' GLY . . . . . . . . . . . . . . . -64.57 -44.28 95.31 Favored Glycine 0 C--O 1.18 -3.224 0 CA-C-O 116.519 -2.267 . . . . 29.17 112.596 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1021 ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.96 -44.02 94.04 Favored 'General case' 0 C--O 1.285 2.934 0 O-C-N 125.185 1.167 . . . . 25.27 108.629 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1022 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -57.25 -47.52 81.18 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 128.583 2.753 . . . . 49.28 109.416 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1023 ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -72.19 -42.83 65.39 Favored 'General case' 0 C--O 1.187 -2.199 0 O-C-N 124.807 1.317 . . . . 58.72 110.408 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1024 ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.39 83.31 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.126 -1.416 . . . . 26.56 107.797 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1025 ' ' SER . . . . . . . . . . . . . 4.1 p -59.94 -35.88 75.89 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 116.841 -1.944 . . . . 29.49 115.352 174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1026 ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -63.36 -43.96 96.17 Favored 'General case' 0 C--O 1.296 3.52 0 C-N-CA 116.971 -1.892 . . . . 86.67 114.599 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1027 ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.51 -40.42 91.36 Favored 'General case' 0 N--CA 1.434 -1.26 0 O-C-N 119.194 -2.191 . . . . 37.87 114.428 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1028 ' ' TYR . . . . . . . . . . . . . 23.5 t80 -81.27 -61.79 1.84 Allowed 'General case' 0 CA--C 1.594 2.651 0 CA-C-O 116.678 -1.629 . . . . 39.32 107.256 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1029 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -73.63 -38.12 65.13 Favored 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 115.765 1.765 . . . . 37.26 115.765 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1030 ' ' GLY . . . . . . . . . . . . . . . -81.37 -53.01 4.0 Favored Glycine 0 N--CA 1.409 -3.145 0 C-N-CA 126.274 1.892 . . . . 50.14 109.084 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1031 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -93.64 -6.6 46.04 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 118.993 2.96 . . . . 83.84 118.993 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1032 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 55.97 32.81 20.56 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 117.713 -1.137 . . . . 55.11 110.18 -171.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1033 ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -106.63 93.17 4.44 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 124.603 1.19 . . . . 34.24 111.952 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1034 ' ' VAL . . . . . . . . . . . . . 94.8 t -72.84 -42.14 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.926 0 C-N-CA 126.03 1.732 . . . . 33.92 107.044 -175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1035 ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' B' 1039 ' ' GLU . 34.0 tttm -53.96 -42.24 68.71 Favored 'General case' 0 C--O 1.278 2.572 0 C-N-CA 116.043 -2.263 . . . . 74.08 112.263 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1036 ' ' GLY . . . . . . . . . . . . . . . -70.9 -42.6 60.01 Favored Glycine 1 C--O 1.104 -8.021 0 N-CA-C 107.055 -2.418 . . . . 26.89 107.055 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1037 ' ' MET . . . . . . . . . . . . . 44.7 ttp -55.31 -40.63 71.37 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 118.391 -2.829 . . . . 31.12 116.245 172.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1038 ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.43 -44.57 82.54 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 115.568 -2.158 . . . . 36.8 112.237 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1039 ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' B' 1035 ' ' LYS . 73.7 mt-10 -55.2 -41.6 72.2 Favored 'General case' 0 N--CA 1.407 -2.579 1 O-C-N 129.601 4.313 . . . . 55.15 110.523 -178.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1040 ' ' VAL . . . . . . . . . . . . . 74.7 t -66.53 -48.71 79.66 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 116.168 -1.873 . . . . 28.85 113.373 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1041 ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.17 -27.34 56.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.967 1.712 . . . . 32.61 111.078 -172.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1042 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' B' 1043 ' ' PRO . 40.9 tt0 -63.4 -40.14 56.3 Favored Pre-proline 0 N--CA 1.506 2.355 0 CA-C-N 121.281 1.855 . . . . 77.99 115.836 -173.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1043 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' 1042 ' ' GLU . 28.4 Cg_endo -72.19 -27.14 17.05 Favored 'Trans proline' 0 N--CA 1.444 -1.415 0 C-N-CA 123.978 3.119 . . . . 37.5 110.558 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1044 ' ' LEU . . . . . 0.709 ' CD2' ' HG2' ' B' 1016 ' ' MET . 63.7 mt -69.16 -46.71 66.89 Favored 'General case' 0 C--O 1.289 3.177 0 C-N-CA 113.893 -3.123 . . . . 38.03 111.484 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1045 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -60.72 -38.67 85.84 Favored 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 117.108 -1.837 . . . . 28.46 112.069 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1046 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' 1050 ' ' ARG . . . -64.91 -36.24 83.73 Favored 'General case' 1 N--CA 1.543 4.219 0 CA-C-O 115.085 -2.388 . . . . 33.73 108.417 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1047 ' ' MET . . . . . 0.947 ' SD ' ' SD ' ' B' 1016 ' ' MET 0.392 13.2 ttp -62.09 -42.82 99.6 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 114.563 -2.855 . . . . 83.57 115.715 169.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1048 ' ' MET . . . . . . . . . . . . . 39.3 mmm -56.17 -44.52 79.42 Favored 'General case' 0 C--O 1.219 -0.533 1 O-C-N 116.031 -4.168 . . . . 45.57 109.504 173.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1049 ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -52.79 -40.19 63.01 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.928 1.392 . . . . 75.24 112.876 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . 0.503 HH11 ' HB3' ' B' 1050 ' ' ARG . 0.0 OUTLIER -65.0 -32.76 74.65 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 115.137 -2.364 . . . . 91.25 111.027 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1051 ' ' GLY . . . . . . . . . . . . . . . 111.54 152.33 12.19 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 121.838 2.108 . . . . 53.21 112.68 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1052 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.85 141.5 40.97 Favored 'Trans proline' 0 N--CA 1.419 -2.864 0 C-N-CA 123.4 2.733 . . . . 40.63 111.807 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1053 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.68 1.17 9.41 Favored 'General case' 1 C--O 1.139 -4.712 0 O-C-N 117.995 -2.941 . . . . 76.62 115.381 174.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 70.3 p -126.21 163.01 24.1 Favored 'General case' 0 C--O 1.285 2.947 0 O-C-N 120.093 -1.63 . . . . 36.06 111.47 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1055 ' ' LEU . . . . . . . . . . . . . 90.5 mt -57.7 -45.12 86.11 Favored 'General case' 0 N--CA 1.516 2.856 0 O-C-N 119.659 -1.9 . . . . 38.7 109.142 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1056 ' ' LYS . . . . . . . . . . . . . 54.3 mttp -64.12 -32.1 73.54 Favored 'General case' 0 C--O 1.304 3.925 0 C-N-CA 127.228 2.211 . . . . 50.36 110.988 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1057 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.84 -38.6 67.05 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 124.966 2.317 . . . . 33.39 107.387 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1058 ' ' THR . . . . . . . . . . . . . 18.3 m -68.38 -41.17 80.95 Favored 'General case' 0 C--N 1.38 1.934 0 CA-C-N 113.228 -1.806 . . . . 39.1 109.337 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1059 ' ' SER . . . . . . . . . . . . . 88.5 p -73.47 -34.89 65.58 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 114.974 -2.69 . . . . 32.16 106.387 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1060 ' ' PHE . . . . . 0.45 ' HB2' ' CE1' ' B' 1014 ' ' HIS . 26.6 t80 -61.43 -43.75 98.32 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 120.507 1.503 . . . . 31.86 109.667 174.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1061 ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.03 -42.08 94.69 Favored 'General case' 0 C--O 1.257 1.485 0 C-N-CA 119.564 -0.855 . . . . 38.09 111.86 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1062 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.3 -44.33 71.89 Favored 'General case' 0 CA--C 1.6 2.872 0 N-CA-C 115.466 1.654 . . . . 28.08 115.466 171.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1063 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.16 35.02 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.655 3.097 . . . . 28.68 113.195 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1064 ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -117.38 1.41 12.37 Favored 'General case' 0 C--O 1.28 2.659 0 CA-C-O 112.51 -3.614 . . . . 42.11 112.124 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1065 ' ' GLY . . . . . . . . . . . . . . . -66.32 -50.49 50.1 Favored Glycine 1 C--O 1.168 -4.01 0 CA-C-N 122.048 2.203 . . . . 31.31 108.562 -167.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1066 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -45.22 93.92 Favored 'General case' 0 C--O 1.256 1.444 0 C-N-CA 117.668 -1.613 . . . . 88.51 112.339 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1067 ' ' ASP . . . . . 0.658 ' OD2' ' NH2' ' B' 1100 ' ' ARG . 92.0 m-20 -58.83 -43.78 90.76 Favored 'General case' 0 C--O 1.271 2.204 0 O-C-N 120.542 -1.349 . . . . 40.94 110.653 177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1068 ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.06 -37.25 81.08 Favored 'General case' 0 C--O 1.268 2.067 0 C-N-CA 116.728 -1.989 . . . . 25.06 111.011 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1069 ' ' MET . . . . . 0.437 ' HE3' ' HB3' ' B' 1069 ' ' MET . 3.9 mtp -61.87 -46.09 90.96 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 120.947 -1.096 . . . . 63.84 109.215 175.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1070 ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -58.41 -41.61 85.35 Favored 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.563 -1.208 . . . . 46.34 113.35 172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.61 93.6 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.002 1.273 . . . . 30.52 108.175 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1072 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.2 -38.49 76.84 Favored 'General case' 0 C--N 1.375 1.685 0 CA-C-O 115.373 -2.251 . . . . 46.04 114.971 172.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1073 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.365 1.252 0 CA-C-N 122.836 2.562 . . . . 79.1 110.116 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1074 ' ' TRP . . . . . . . . . . . . . 93.8 m95 -59.31 -46.4 88.69 Favored 'General case' 0 C--O 1.263 1.8 0 C-N-CA 118.328 -1.349 . . . . 45.28 111.832 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1075 ' ' CYS . . . . . 0.56 ' O ' ' HG3' ' B' 1079 ' ' MET . 50.8 m -56.56 -45.57 81.19 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 113.576 -3.25 . . . . 37.28 111.09 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1076 ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -61.98 -32.39 72.83 Favored 'General case' 0 C--O 1.268 2.069 0 O-C-N 120.016 -1.677 . . . . 45.73 109.314 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1077 ' ' LYS . . . . . . . . . . . . . 67.8 mttt -60.97 -41.93 97.32 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-O 124.502 2.096 . . . . 72.23 113.684 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1078 ' ' TYR . . . . . . . . . . . . . 64.8 t80 -61.24 -39.65 91.09 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 113.452 -1.704 . . . . 34.96 113.83 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1079 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' 1075 ' ' CYS . 37.2 mtt -55.69 -41.72 74.16 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 127.5 3.0 . . . . 46.8 108.08 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1080 ' ' LYS . . . . . . . . . . . . . 22.7 mttt -89.42 -39.74 13.18 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.587 -0.894 . . . . 70.07 108.587 -173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1081 ' ' SER . . . . . . . . . . . . . 25.9 p -76.47 -34.41 58.69 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 116.967 -3.583 . . . . 41.74 115.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1082 ' ' GLY . . . . . . . . . . . . . . . 71.52 15.16 75.19 Favored Glycine 0 N--CA 1.493 2.462 2 O-C-N 114.072 -5.393 . . . . 28.2 111.087 -169.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1083 ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' B' 1085 ' ' LYS . 0.4 OUTLIER -103.65 110.61 22.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 112.977 -3.392 . . . . 61.4 109.709 -176.587 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1084 ' ' VAL . . . . . . . . . . . . 0.284 7.2 p -52.37 -26.48 9.25 Favored 'Isoleucine or valine' 1 C--O 1.315 4.548 0 CA-C-N 124.16 3.164 . . . . 42.78 115.221 -178.96 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B 1085 ' ' LYS . . . . . 0.56 ' NZ ' HG21 ' B' 1088 ' ' THR . 0.0 OUTLIER -57.97 -31.38 66.83 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 116.432 -3.917 . . . . 73.61 113.566 171.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1086 ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -69.21 -36.9 77.76 Favored 'General case' 0 C--O 1.265 1.894 0 C-N-CA 115.223 -2.591 . . . . 40.58 109.728 174.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1087 ' ' LEU . . . . . . . . . . . . . 59.7 tp -73.43 -27.87 61.67 Favored 'General case' 0 C--O 1.294 3.418 0 C-N-CA 118.323 -1.351 . . . . 43.18 111.617 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1088 ' ' THR . . . . . 0.56 HG21 ' NZ ' ' B' 1085 ' ' LYS . 23.8 p -64.42 -40.73 96.33 Favored 'General case' 1 N--CA 1.544 4.267 1 C-N-CA 110.043 -4.663 . . . . 44.02 105.577 179.02 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B 1089 ' ' GLN . . . . . . . . . . . . 0.303 11.5 mm100 -59.44 -33.53 71.38 Favored 'General case' 0 N--CA 1.522 3.152 1 CA-C-O 128.881 4.181 . . . . 58.1 109.833 -171.481 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B 1090 ' ' ALA . . . . . . . . . . . . . . . -66.12 -36.93 84.47 Favored 'General case' 0 N--CA 1.537 3.915 0 CA-C-N 108.504 -3.953 . . . . 24.53 111.003 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1091 ' ' TRP . . . . . . . . . . . . . 65.1 m95 -72.07 -21.84 61.45 Favored 'General case' 0 C--N 1.414 3.381 0 CA-C-O 116.468 -1.73 . . . . 33.52 111.506 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1092 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.42 -40.32 81.24 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 121.208 1.822 . . . . 40.54 108.446 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1093 ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.24 -37.22 66.43 Favored 'General case' 0 C--O 1.279 2.641 0 CA-C-O 114.22 -2.8 . . . . 30.94 108.74 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1094 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -65.0 -39.82 94.03 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 126.981 2.676 . . . . 25.15 111.196 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1095 ' ' TYR . . . . . . . . . . . . . 9.8 t80 -69.05 -41.1 78.1 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 116.248 -1.834 . . . . 27.38 106.408 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1096 ' ' HIS . . . . . 0.695 ' CD2' HH21 ' B' 1100 ' ' ARG 0.253 56.6 t60 -58.95 -46.63 87.56 Favored 'General case' 0 N--CA 1.512 2.652 0 CA-C-O 116.677 -1.63 . . . . 51.51 107.847 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1097 ' ' VAL . . . . . . . . . . . . . 78.1 t -54.33 -49.73 61.86 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 O-C-N 125.207 1.567 . . . . 24.78 113.142 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1098 ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.66 -43.18 89.76 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.209 -1.557 . . . . 29.26 113.436 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1099 ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 948' ' ' LYS . 37.4 mtp85 -64.69 -42.23 95.47 Favored 'General case' 0 N--CA 1.405 -2.697 1 CA-C-O 111.68 -4.009 . . . . 39.22 109.329 176.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1100 ' ' ARG . . . . . 0.695 HH21 ' CD2' ' B' 1096 ' ' HIS . 25.1 mtm180 -64.74 -40.46 95.35 Favored 'General case' 0 N--CA 1.505 2.289 1 O-C-N 129.393 4.183 . . . . 86.15 110.002 -178.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1101 ' ' ILE . . . . . 0.422 HD13 HG21 ' B' 1101 ' ' ILE . 77.3 mt -64.67 -28.65 45.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.032 -1.042 . . . . 44.12 110.672 177.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1102 ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--O 1.269 2.114 0 C-N-CA 124.471 1.108 . . . . 45.24 111.659 -172.207 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1101 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1102 ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_